N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide

C16H13FN2O2S2 — CID 71858357

IUPACN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1
InChIInChI=1S/C16H13FN2O2S2/c1-9-7-10(3-4-11(9)17)12-8-23-16(18-12)19-15(20)14-13(21-2)5-6-22-14/h3-8H,1-2H3,(H,18,19,20)
InChIKeyFPWRREMTGWGHTP-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.58
Rot. Bonds4

About N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide

N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide (PubChem CID 71858357) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
PubChem CID71858357
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC NameN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1
InChIInChI=1S/C16H13FN2O2S2/c1-9-7-10(3-4-11(9)17)12-8-23-16(18-12)19-15(20)14-13(21-2)5-6-22-14/h3-8H,1-2H3,(H,18,19,20)
InChIKeyFPWRREMTGWGHTP-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110446009
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18225324
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide (CID 71858357) is N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1.
What is the InChIKey of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide?
The InChIKey is FPWRREMTGWGHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c1-9-7-10(3-4-11(9)17)12-8-23-16(18-12)19-15(20)14-13(21-2)5-6-22-14/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide?
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 71858357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).