2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

C19H29N5O2S — CID 95557966

IUPAC2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C19H29N5O2S/c20-17(25)16-13-27-19(21-16)23-10-5-15(6-11-23)24-9-3-4-14(12-24)18(26)22-7-1-2-8-22/h13-15H,1-12H2,(H2,20,25)/t14-/m0/s1
InChIKeyFAWKPAUUGUKPFL-AWEZNQCLSA-N
MW391.54 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 95557966) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID95557966
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Name2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C19H29N5O2S/c20-17(25)16-13-27-19(21-16)23-10-5-15(6-11-23)24-9-3-4-14(12-24)18(26)22-7-1-2-8-22/h13-15H,1-12H2,(H2,20,25)/t14-/m0/s1
InChIKeyFAWKPAUUGUKPFL-AWEZNQCLSA-N
XLogP1.55
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95463607
S-[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] ethanethioate
CID 22242732
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
[1-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56870773
N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide
CID 95502447

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (CID 95557966) is 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1.
What is the InChIKey of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FAWKPAUUGUKPFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N5O2S/c20-17(25)16-13-27-19(21-16)23-10-5-15(6-11-23)24-9-3-4-14(12-24)18(26)22-7-1-2-8-22/h13-15H,1-12H2,(H2,20,25)/t14-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95557966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).