N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide

C19H20N4O2S — CID 78869341

IUPACN-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)CCCNC(=O)C3CC3)s2)cc1
InChIInChI=1S/C19H20N4O2S/c20-11-14-5-3-13(4-6-14)10-16-12-22-19(26-16)23-17(24)2-1-9-21-18(25)15-7-8-15/h3-6,12,15H,1-2,7-10H2,(H,21,25)(H,22,23,24)
InChIKeyOACWWYYQWHTIPN-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.85
Rot. Bonds8

About N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 78869341) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID78869341
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)CCCNC(=O)C3CC3)s2)cc1
InChIInChI=1S/C19H20N4O2S/c20-11-14-5-3-13(4-6-14)10-16-12-22-19(26-16)23-17(24)2-1-9-21-18(25)15-7-8-15/h3-6,12,15H,1-2,7-10H2,(H,21,25)(H,22,23,24)
InChIKeyOACWWYYQWHTIPN-UHFFFAOYSA-N
XLogP2.85
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 78883719
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 78904432
1-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074653
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitrophenoxy)propanamide
CID 78883724
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869334
tert-butyl N-[4-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]carbamate
CID 134033944
6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide
CID 78843663
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78843727
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide (CID 78869341) is N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide is N#Cc1ccc(Cc2cnc(NC(=O)CCCNC(=O)C3CC3)s2)cc1.
What is the InChIKey of N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is OACWWYYQWHTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-11-14-5-3-13(4-6-14)10-16-12-22-19(26-16)23-17(24)2-1-9-21-18(25)15-7-8-15/h3-6,12,15H,1-2,7-10H2,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 78869341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).