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

C15H23FN4OS — CID 175765572

IUPAC2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(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)/t10-,11?,12?/m1/s1
InChIKeyRFSYVDWWVVOQOU-VOMCLLRMSA-N
MW326.44 g/mol
LogP1.89
Rot. Bonds3

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

2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 175765572) has the molecular formula C15H23FN4OS and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID175765572
Molecular FormulaC15H23FN4OS
Molecular Weight326.44 g/mol
Exact Mass326.16
IUPAC Name2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(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)/t10-,11?,12?/m1/s1
InChIKeyRFSYVDWWVVOQOU-VOMCLLRMSA-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-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82425308
2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
CID 134429966
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63168560
methyl 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazole-5-carboxylate
CID 80571298
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752952
methyl 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 80572590
5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
CID 126995565
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672
2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 62752950
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912
2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 175864765
2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 11718729

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 175765572) is 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is C[C@@H]1CCCN(C2CCN(c3ncc(C(N)=O)s3)CC2F)C1.
What is the InChIKey of 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RFSYVDWWVVOQOU-VOMCLLRMSA-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)/t10-,11?,12?/m1/s1.
What are the key properties of 2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[3-fluoro-4-[(3R)-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-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175765572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).