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

C15H18N4O2S — CID 120621953

IUPAC2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2csc(CCN)n2)c1
InChIInChI=1S/C15H18N4O2S/c1-17-14(20)11-4-2-3-10(7-11)8-18-15(21)12-9-22-13(19-12)5-6-16/h2-4,7,9H,5-6,8,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyULHNAYLHENKQSG-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.93
Rot. Bonds6

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

2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120621953) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID120621953
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2csc(CCN)n2)c1
InChIInChI=1S/C15H18N4O2S/c1-17-14(20)11-4-2-3-10(7-11)8-18-15(21)12-9-22-13(19-12)5-6-16/h2-4,7,9H,5-6,8,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyULHNAYLHENKQSG-UHFFFAOYSA-N
XLogP0.93
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119798217
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389365
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
2-(2-aminoethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620969
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
2-(2-aminoethyl)-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120624899

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 120621953) is 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1cccc(CNC(=O)c2csc(CCN)n2)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ULHNAYLHENKQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-17-14(20)11-4-2-3-10(7-11)8-18-15(21)12-9-22-13(19-12)5-6-16/h2-4,7,9H,5-6,8,16H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120621953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).