N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide

C15H18N4O2S — CID 3826839

IUPACN-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1csc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c16-11(8-10-4-2-1-3-5-10)15-19-12(9-22-15)14(21)18-7-6-13(17)20/h1-5,9,11H,6-8,16H2,(H2,17,20)(H,18,21)
InChIKeyHXKOKSNJRXBPPO-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.99
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide

N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3826839) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID3826839
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1csc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c16-11(8-10-4-2-1-3-5-10)15-19-12(9-22-15)14(21)18-7-6-13(17)20/h1-5,9,11H,6-8,16H2,(H2,17,20)(H,18,21)
InChIKeyHXKOKSNJRXBPPO-UHFFFAOYSA-N
XLogP0.99
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3352343
2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3801274
2-(1-amino-2-phenylethyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-1,3-thiazole-4-carboxamide
CID 3831749
[2-(1-amino-2-phenylethyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3813109
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
methyl 2-[[2-[2-(1-amino-2-phenylethyl)-1,3-thiazol-4-yl]acetyl]amino]propanoate
CID 110450425
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 3826839) is N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide is NC(=O)CCNC(=O)c1csc(C(N)Cc2ccccc2)n1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HXKOKSNJRXBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-11(8-10-4-2-1-3-5-10)15-19-12(9-22-15)14(21)18-7-6-13(17)20/h1-5,9,11H,6-8,16H2,(H2,17,20)(H,18,21).
What are the key properties of N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide?
N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3826839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).