2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C17H22N4O2S — CID 120617706

IUPAC2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C17H22N4O2S/c1-11(2)9-19-16(22)12-5-3-4-6-13(12)21-17(23)14-10-24-15(20-14)7-8-18/h3-6,10-11H,7-9,18H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyLFLFQKFNZRLYNR-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.28
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120617706) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID120617706
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C17H22N4O2S/c1-11(2)9-19-16(22)12-5-3-4-6-13(12)21-17(23)14-10-24-15(20-14)7-8-18/h3-6,10-11H,7-9,18H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyLFLFQKFNZRLYNR-UHFFFAOYSA-N
XLogP2.28
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120621264
2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66390219
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621704
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
2-(2-aminoethyl)-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120635673
2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636237
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81073673
2-(2-aminoethyl)-N-[2-(dimethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 66388743
2-(2-aminoethyl)-N-[2-(azepan-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120641148
2-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 107805115

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 120617706) is 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LFLFQKFNZRLYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11(2)9-19-16(22)12-5-3-4-6-13(12)21-17(23)14-10-24-15(20-14)7-8-18/h3-6,10-11H,7-9,18H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120617706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).