N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine

C18H17ClN6S — CID 86660043

IUPACN-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)Cc1cnc(Nc2n[nH]c3ccc(-c4ncccc4Cl)cc23)s1
InChIInChI=1S/C18H17ClN6S/c1-25(2)10-12-9-21-18(26-12)22-17-13-8-11(5-6-15(13)23-24-17)16-14(19)4-3-7-20-16/h3-9H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyFXJDILPDXQDNPA-UHFFFAOYSA-N
MW384.90 g/mol
LogP4.54
Rot. Bonds5

About N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine

N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 86660043) has the molecular formula C18H17ClN6S and a molecular weight of 384.90 g/mol. Its IUPAC name is N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID86660043
Molecular FormulaC18H17ClN6S
Molecular Weight384.90 g/mol
Exact Mass384.09
IUPAC NameN-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)Cc1cnc(Nc2n[nH]c3ccc(-c4ncccc4Cl)cc23)s1
InChIInChI=1S/C18H17ClN6S/c1-25(2)10-12-9-21-18(26-12)22-17-13-8-11(5-6-15(13)23-24-17)16-14(19)4-3-7-20-16/h3-9H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyFXJDILPDXQDNPA-UHFFFAOYSA-N
XLogP4.54
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.90
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 87420077
[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea
CID 86660015
N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 87418818
5-[(dimethylamino)methyl]-N-[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-1H-indazol-3-yl]-1,3-thiazol-2-amine;trihydrochloride
CID 159231770
N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine
CID 87420112
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
N-[5-(2-methylpyrazol-3-yl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 87420118
N-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 87420139
5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine
CID 67490004
N-(4-chloro-1H-indazol-5-yl)-5-[3-[(dimethylamino)methyl]-5-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 134392851
2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 58540844
5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine
CID 58540645

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine (CID 86660043) is N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine is CN(C)Cc1cnc(Nc2n[nH]c3ccc(-c4ncccc4Cl)cc23)s1.
What is the InChIKey of N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is FXJDILPDXQDNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6S/c1-25(2)10-12-9-21-18(26-12)22-17-13-8-11(5-6-15(13)23-24-17)16-14(19)4-3-7-20-16/h3-9H,10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 384.90 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86660043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).