5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide

C16H13ClF2N4O2S — CID 30394209

IUPAC5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1
InChIInChI=1S/C16H13ClF2N4O2S/c1-8-12(13-20-5-6-23(13)15(18)19)26-16(21-8)22-14(24)10-7-9(17)3-4-11(10)25-2/h3-7,15H,1-2H3,(H,21,22,24)
InChIKeyNOIDHRPJDCLRTL-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.62
Rot. Bonds5

About 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide

5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 30394209) has the molecular formula C16H13ClF2N4O2S and a molecular weight of 398.82 g/mol. Its IUPAC name is 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID30394209
Molecular FormulaC16H13ClF2N4O2S
Molecular Weight398.82 g/mol
Exact Mass398.04
IUPAC Name5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1
InChIInChI=1S/C16H13ClF2N4O2S/c1-8-12(13-20-5-6-23(13)15(18)19)26-16(21-8)22-14(24)10-7-9(17)3-4-11(10)25-2/h3-7,15H,1-2H3,(H,21,22,24)
InChIKeyNOIDHRPJDCLRTL-UHFFFAOYSA-N
XLogP4.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 30394209) is 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1.
What is the InChIKey of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is NOIDHRPJDCLRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4O2S/c1-8-12(13-20-5-6-23(13)15(18)19)26-16(21-8)22-14(24)10-7-9(17)3-4-11(10)25-2/h3-7,15H,1-2H3,(H,21,22,24).
What are the key properties of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 398.82 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 30394209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).