2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide

C15H19N5O2S2 — CID 51043970

IUPAC2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)c1csc(NC2CCCC2)n1
InChIInChI=1S/C15H19N5O2S2/c21-12(10-8-23-14(17-10)16-9-4-1-2-5-9)18-15-20-19-13(24-15)11-6-3-7-22-11/h8-9,11H,1-7H2,(H,16,17)(H,18,20,21)
InChIKeyCMXCWUADWVVCDK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.45
Rot. Bonds5

About 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide

2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 51043970) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID51043970
Molecular FormulaC15H19N5O2S2
Molecular Weight365.48 g/mol
Exact Mass365.10
IUPAC Name2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)c1csc(NC2CCCC2)n1
InChIInChI=1S/C15H19N5O2S2/c21-12(10-8-23-14(17-10)16-9-4-1-2-5-9)18-15-20-19-13(24-15)11-6-3-7-22-11/h8-9,11H,1-7H2,(H,16,17)(H,18,20,21)
InChIKeyCMXCWUADWVVCDK-UHFFFAOYSA-N
XLogP3.45
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide
CID 52897913
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 16644303
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylamino)-1,3-thiazole-4-carboxamide
CID 166394604
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
2-chloro-5-(2-methylpropyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 75489838

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 51043970) is 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nnc(C2CCCO2)s1)c1csc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CMXCWUADWVVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c21-12(10-8-23-14(17-10)16-9-4-1-2-5-9)18-15-20-19-13(24-15)11-6-3-7-22-11/h8-9,11H,1-7H2,(H,16,17)(H,18,20,21).
What are the key properties of 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51043970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).