2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

C14H21FN4OS — CID 169149034

IUPAC2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(N3CCC(F)C3)CC2)s1
InChIInChI=1S/C14H21FN4OS/c1-16-13(20)12-8-17-14(21-12)18-6-3-11(4-7-18)19-5-2-10(15)9-19/h8,10-11H,2-7,9H2,1H3,(H,16,20)
InChIKeyMMDMVQSLXROARY-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.52
Rot. Bonds3

About 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 169149034) has the molecular formula C14H21FN4OS and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID169149034
Molecular FormulaC14H21FN4OS
Molecular Weight312.41 g/mol
Exact Mass312.14
IUPAC Name2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(N3CCC(F)C3)CC2)s1
InChIInChI=1S/C14H21FN4OS/c1-16-13(20)12-8-17-14(21-12)18-6-3-11(4-7-18)19-5-2-10(15)9-19/h8,10-11H,2-7,9H2,1H3,(H,16,20)
InChIKeyMMDMVQSLXROARY-UHFFFAOYSA-N
XLogP1.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
(2-amino-1,3-thiazol-5-yl)-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 125525751
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 132469550
2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 167609669
2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175765572
2-[4-[3-(2-Fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175882014
2-[3-Fluoro-4-(3-methylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175935763
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736
2-(ethylamino)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 71864067
2-(ethylamino)-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525680
2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108767892

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 169149034) is 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(N2CCC(N3CCC(F)C3)CC2)s1.
What is the InChIKey of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MMDMVQSLXROARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4OS/c1-16-13(20)12-8-17-14(21-12)18-6-3-11(4-7-18)19-5-2-10(15)9-19/h8,10-11H,2-7,9H2,1H3,(H,16,20).
What are the key properties of 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 169149034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).