2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

C15H23FN4OS — CID 175935763

IUPAC2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC1CCCN(C2CCN(c3ncc(C(N)=O)s3)CC2F)C1
InChIInChI=1S/C15H23FN4OS/c1-10-3-2-5-19(8-10)12-4-6-20(9-11(12)16)15-18-7-13(22-15)14(17)21/h7,10-12H,2-6,8-9H2,1H3,(H2,17,21)
InChIKeyRFSYVDWWVVOQOU-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.89
Rot. Bonds3

About 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 175935763) has the molecular formula C15H23FN4OS and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID175935763
Molecular FormulaC15H23FN4OS
Molecular Weight326.44 g/mol
Exact Mass326.16
IUPAC Name2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC1CCCN(C2CCN(c3ncc(C(N)=O)s3)CC2F)C1
InChIInChI=1S/C15H23FN4OS/c1-10-3-2-5-19(8-10)12-4-6-20(9-11(12)16)15-18-7-13(22-15)14(17)21/h7,10-12H,2-6,8-9H2,1H3,(H2,17,21)
InChIKeyRFSYVDWWVVOQOU-UHFFFAOYSA-N
XLogP1.89
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 169149034
2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175765572
2-[4-[3-(3-Fluorobutoxymethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175881988
2-[4-[3-(2-Fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175882014
2-[[1-(2,2,2-Trifluoroethyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 137980025
2-(4-(Trifluoromethyl)piperidin-1-yl)thiazole-5-carbohydrazide
CID 165412210
2-(3-(Trifluoromethyl)piperidin-1-yl)thiazole-5-carbohydrazide
CID 165412211
2-(4-Morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117084797
N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117088345
2-[3-(Diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117088482
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 117089501

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 175935763) is 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is CC1CCCN(C2CCN(c3ncc(C(N)=O)s3)CC2F)C1.
What is the InChIKey of 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RFSYVDWWVVOQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4OS/c1-10-3-2-5-19(8-10)12-4-6-20(9-11(12)16)15-18-7-13(22-15)14(17)21/h7,10-12H,2-6,8-9H2,1H3,(H2,17,21).
What are the key properties of 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175935763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).