2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide

C16H19N5OS — CID 120626736

IUPAC2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1ncc2ccc(NC(=O)c3csc(CCN)n3)cc21
InChIInChI=1S/C16H19N5OS/c1-10(2)21-14-7-12(4-3-11(14)8-18-21)19-16(22)13-9-23-15(20-13)5-6-17/h3-4,7-10H,5-6,17H2,1-2H3,(H,19,22)
InChIKeySCPSRROIEBQCOU-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.83
Rot. Bonds5

About 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120626736) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID120626736
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1ncc2ccc(NC(=O)c3csc(CCN)n3)cc21
InChIInChI=1S/C16H19N5OS/c1-10(2)21-14-7-12(4-3-11(14)8-18-21)19-16(22)13-9-23-15(20-13)5-6-17/h3-4,7-10H,5-6,17H2,1-2H3,(H,19,22)
InChIKeySCPSRROIEBQCOU-UHFFFAOYSA-N
XLogP2.83
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
4-amino-N-(1-propan-2-ylindazol-6-yl)butanamide
CID 119308053
2-(2-aminoethyl)-N-(1H-indazol-6-yl)-1,3-thiazole-4-carboxamide
CID 66390803
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 120646629
2-(2-aminoethyl)-N-[3-chloro-4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621378
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide (CID 120626736) is 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide is CC(C)n1ncc2ccc(NC(=O)c3csc(CCN)n3)cc21.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SCPSRROIEBQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10(2)21-14-7-12(4-3-11(14)8-18-21)19-16(22)13-9-23-15(20-13)5-6-17/h3-4,7-10H,5-6,17H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120626736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).