N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C15H11ClN2OS2 — CID 2447649

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cccs1
InChIInChI=1S/C15H11ClN2OS2/c16-12-5-2-1-4-10(12)8-11-9-17-15(21-11)18-14(19)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18,19)
InChIKeyKIWRETAQONZWDX-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.70
Rot. Bonds4

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 2447649) has the molecular formula C15H11ClN2OS2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID2447649
Molecular FormulaC15H11ClN2OS2
Molecular Weight334.85 g/mol
Exact Mass334.00
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cccs1
InChIInChI=1S/C15H11ClN2OS2/c16-12-5-2-1-4-10(12)8-11-9-17-15(21-11)18-14(19)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18,19)
InChIKeyKIWRETAQONZWDX-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-(pyridin-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 3561768
N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 5329385
N-(2-chloro-6-methylphenyl)-2-[(3-thienylcarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 21911536
3-[5-[(2-Chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
CID 3157014
3-Chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 606795
N-(2-chloro-6-methylphenyl)-2-[(2-thienylcarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 21911573
2-(2-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673027
N-(5-(4-fluorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2180013
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 2523343
2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 676855
3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 738526
N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 644846

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 2447649) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cccs1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is KIWRETAQONZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS2/c16-12-5-2-1-4-10(12)8-11-9-17-15(21-11)18-14(19)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2447649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).