2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide

C17H22N4O2S — CID 154845219

IUPAC2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(CCN)nc1C(=O)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C17H22N4O2S/c1-12-16(21-15(24-12)7-9-18)17(23)19-10-8-14(22)20-11-13-5-3-2-4-6-13/h2-6H,7-11,18H2,1H3,(H,19,23)(H,20,22)
InChIKeyPLXCRCHZIQJCTR-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.39
Rot. Bonds8

About 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 154845219) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID154845219
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(CCN)nc1C(=O)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C17H22N4O2S/c1-12-16(21-15(24-12)7-9-18)17(23)19-10-8-14(22)20-11-13-5-3-2-4-6-13/h2-6H,7-11,18H2,1H3,(H,19,23)(H,20,22)
InChIKeyPLXCRCHZIQJCTR-UHFFFAOYSA-N
XLogP1.39
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
CID 119310950
N-benzyl-3-phenylpropanamide;methanediolate;2-phenylethanamine;hydrochloride
CID 159891871
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
CID 9232883
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 154845219) is 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(CCN)nc1C(=O)NCCC(=O)NCc1ccccc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PLXCRCHZIQJCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-16(21-15(24-12)7-9-18)17(23)19-10-8-14(22)20-11-13-5-3-2-4-6-13/h2-6H,7-11,18H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.39, 8 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-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154845219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).