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

C18H25N5O2S — CID 120646535

IUPAC2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(CNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C18H25N5O2S/c1-23(2)10-9-20-17(24)14-5-3-13(4-6-14)11-21-18(25)15-12-26-16(22-15)7-8-19/h3-6,12H,7-11,19H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyGKLHWGPVBTZOIZ-UHFFFAOYSA-N
MW375.50 g/mol
LogP0.87
Rot. Bonds9

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

2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120646535) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID120646535
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(CNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C18H25N5O2S/c1-23(2)10-9-20-17(24)14-5-3-13(4-6-14)11-21-18(25)15-12-26-16(22-15)7-8-19/h3-6,12H,7-11,19H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyGKLHWGPVBTZOIZ-UHFFFAOYSA-N
XLogP0.87
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[[4-(butylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
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2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 120646535) is 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)c1ccc(CNC(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GKLHWGPVBTZOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-23(2)10-9-20-17(24)14-5-3-13(4-6-14)11-21-18(25)15-12-26-16(22-15)7-8-19/h3-6,12H,7-11,19H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 0.87, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120646535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).