N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C15H15F4N3OS — CID 58236220

IUPACN-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(CCCF)CC(F)(F)F
InChIInChI=1S/C15H15F4N3OS/c1-10-12(24-13(21-10)11-4-2-6-20-8-11)14(23)22(7-3-5-16)9-15(17,18)19/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyLOWXNDRPBLHHMO-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.88
Rot. Bonds6

About N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236220) has the molecular formula C15H15F4N3OS and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID58236220
Molecular FormulaC15H15F4N3OS
Molecular Weight361.36 g/mol
Exact Mass361.09
IUPAC NameN-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(CCCF)CC(F)(F)F
InChIInChI=1S/C15H15F4N3OS/c1-10-12(24-13(21-10)11-4-2-6-20-8-11)14(23)22(7-3-5-16)9-15(17,18)19/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyLOWXNDRPBLHHMO-UHFFFAOYSA-N
XLogP3.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 58236220) is N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)N(CCCF)CC(F)(F)F.
What is the InChIKey of N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LOWXNDRPBLHHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3OS/c1-10-12(24-13(21-10)11-4-2-6-20-8-11)14(23)22(7-3-5-16)9-15(17,18)19/h2,4,6,8H,3,5,7,9H2,1H3.
What are the key properties of N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).