5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine

C22H19ClN10OS — CID 134579203

IUPAC5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(C)nn3)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1
InChIInChI=1S/C22H19ClN10OS/c1-12-7-8-18(29-28-12)27-19-9-16(14(10-24-19)22-25-11-17(23)35-22)26-15-6-4-5-13(20(15)34-3)21-30-32-33(2)31-21/h4-11H,1-3H3,(H2,24,26,27,29)
InChIKeySZQDYNDXBGHBLP-UHFFFAOYSA-N
MW506.98 g/mol
LogP4.64
Rot. Bonds7

About 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine

5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine (PubChem CID 134579203) has the molecular formula C22H19ClN10OS and a molecular weight of 506.98 g/mol. Its IUPAC name is 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine
PubChem CID134579203
Molecular FormulaC22H19ClN10OS
Molecular Weight506.98 g/mol
Exact Mass506.12
IUPAC Name5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(C)nn3)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1
InChIInChI=1S/C22H19ClN10OS/c1-12-7-8-18(29-28-12)27-19-9-16(14(10-24-19)22-25-11-17(23)35-22)26-15-6-4-5-13(20(15)34-3)21-30-32-33(2)31-21/h4-11H,1-3H3,(H2,24,26,27,29)
InChIKeySZQDYNDXBGHBLP-UHFFFAOYSA-N
XLogP4.64
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.98
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine with MolForge

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Related Compounds

5-(5-chloro-1,3-thiazol-2-yl)-2-N-[4-(methoxymethyl)-2-pyridinyl]-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]pyridine-2,4-diamine
CID 134439061
N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 134438600
[5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol
CID 134438889
4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438497
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438529
6-[[2-(difluoromethyl)-3-iodophosphanyl-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]imidazo[4,5-b]pyridin-5-yl]amino]-3-methylpyrazine-2-carbonitrile
CID 134512793
4-[3-[5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-thiazol-2-yl]-2-methoxyanilino]-6-[(6-methylpyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584907
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]ethanone
CID 166798851
1-[6-[[6-[(dimethylamino)methyl]pyridazin-3-yl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166799144
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134456417
6-[(5-isocyano-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 166596254

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine?
The IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine (CID 134579203) is 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine is COc1c(Nc2cc(Nc3ccc(C)nn3)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1.
What is the InChIKey of 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine?
The InChIKey is SZQDYNDXBGHBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN10OS/c1-12-7-8-18(29-28-12)27-19-9-16(14(10-24-19)22-25-11-17(23)35-22)26-15-6-4-5-13(20(15)34-3)21-30-32-33(2)31-21/h4-11H,1-3H3,(H2,24,26,27,29).
What are the key properties of 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine?
5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine has a molecular weight of 506.98 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 134579203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).