N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C16H15F2N5OS — CID 38343295

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H15F2N5OS/c1-10-13(25-14(21-10)11-5-3-4-6-19-11)15(24)22(2)9-12-20-7-8-23(12)16(17)18/h3-8,16H,9H2,1-2H3
InChIKeyVZXLFDDNUSLTSH-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.38
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 38343295) has the molecular formula C16H15F2N5OS and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID38343295
Molecular FormulaC16H15F2N5OS
Molecular Weight363.39 g/mol
Exact Mass363.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H15F2N5OS/c1-10-13(25-14(21-10)11-5-3-4-6-19-11)15(24)22(2)9-12-20-7-8-23(12)16(17)18/h3-8,16H,9H2,1-2H3
InChIKeyVZXLFDDNUSLTSH-UHFFFAOYSA-N
XLogP3.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 38343295) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VZXLFDDNUSLTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS/c1-10-13(25-14(21-10)11-5-3-4-6-19-11)15(24)22(2)9-12-20-7-8-23(12)16(17)18/h3-8,16H,9H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38343295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).