N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide

C21H19ClN8O2S — CID 134438600

IUPACN-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1
InChIInChI=1S/C21H19ClN8O2S/c1-30-28-19(27-29-30)12-4-3-5-14(18(12)32-2)25-15-8-17(26-20(31)11-6-7-11)23-9-13(15)21-24-10-16(22)33-21/h3-5,8-11H,6-7H2,1-2H3,(H2,23,25,26,31)
InChIKeyUXADOYPAYDTUCQ-UHFFFAOYSA-N
MW482.96 g/mol
LogP4.15
Rot. Bonds7

About N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 134438600) has the molecular formula C21H19ClN8O2S and a molecular weight of 482.96 g/mol. Its IUPAC name is N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID134438600
Molecular FormulaC21H19ClN8O2S
Molecular Weight482.96 g/mol
Exact Mass482.10
IUPAC NameN-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1
InChIInChI=1S/C21H19ClN8O2S/c1-30-28-19(27-29-30)12-4-3-5-14(18(12)32-2)25-15-8-17(26-20(31)11-6-7-11)23-9-13(15)21-24-10-16(22)33-21/h3-5,8-11H,6-7H2,1-2H3,(H2,23,25,26,31)
InChIKeyUXADOYPAYDTUCQ-UHFFFAOYSA-N
XLogP4.15
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.96
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
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
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
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
N-[5-(2-amino-1,1-difluoroethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166858310
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
CID 158589167
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
4-[3-(5-amino-1,3-thiazol-2-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584853
6-(cyclopropanecarbonylamino)-4-[3-(5-dicyclopropylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridine-3-carboxamide
CID 170719755
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 154663016

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide (CID 134438600) is N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2ncc(Cl)s2)cccc1-c1nnn(C)n1.
What is the InChIKey of N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UXADOYPAYDTUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN8O2S/c1-30-28-19(27-29-30)12-4-3-5-14(18(12)32-2)25-15-8-17(26-20(31)11-6-7-11)23-9-13(15)21-24-10-16(22)33-21/h3-5,8-11H,6-7H2,1-2H3,(H2,23,25,26,31).
What are the key properties of N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 482.96 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-1,3-thiazol-2-yl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 134438600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).