N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C17H18ClN3O3S — CID 56808469

IUPACN-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1
InChIInChI=1S/C17H18ClN3O3S/c18-12-3-1-11(2-4-12)15-21-13(9-25-15)14(22)20-10-17(16(19)23)5-7-24-8-6-17/h1-4,9H,5-8,10H2,(H2,19,23)(H,20,22)
InChIKeyMMVICYFCOVKULX-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.48
Rot. Bonds5

About N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 56808469) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID56808469
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1
InChIInChI=1S/C17H18ClN3O3S/c18-12-3-1-11(2-4-12)15-21-13(9-25-15)14(22)20-10-17(16(19)23)5-7-24-8-6-17/h1-4,9H,5-8,10H2,(H2,19,23)(H,20,22)
InChIKeyMMVICYFCOVKULX-UHFFFAOYSA-N
XLogP2.48
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 59768268
N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103849544
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 119508471
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111484969
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120827406
2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989
2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 67450045
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55666102

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 56808469) is N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)C1(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1.
What is the InChIKey of N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MMVICYFCOVKULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-12-3-1-11(2-4-12)15-21-13(9-25-15)14(22)20-10-17(16(19)23)5-7-24-8-6-17/h1-4,9H,5-8,10H2,(H2,19,23)(H,20,22).
What are the key properties of N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56808469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).