N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide

C15H19N5OS2 — CID 52897913

IUPACN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CCC2)s1)c1csc(NC2CCCC2)n1
InChIInChI=1S/C15H19N5OS2/c21-12(18-15-20-19-13(23-15)9-4-3-5-9)11-8-22-14(17-11)16-10-6-1-2-7-10/h8-10H,1-7H2,(H,16,17)(H,18,20,21)
InChIKeyZEBPSBIVLLRGRO-UHFFFAOYSA-N
MW349.49 g/mol
LogP3.87
Rot. Bonds5

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

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide (PubChem CID 52897913) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide
PubChem CID52897913
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CCC2)s1)c1csc(NC2CCCC2)n1
InChIInChI=1S/C15H19N5OS2/c21-12(18-15-20-19-13(23-15)9-4-3-5-9)11-8-22-14(17-11)16-10-6-1-2-7-10/h8-10H,1-7H2,(H,16,17)(H,18,20,21)
InChIKeyZEBPSBIVLLRGRO-UHFFFAOYSA-N
XLogP3.87
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
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CID 123932745
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259
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CID 1035124
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 90163335
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
2-(cyclohexylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide (CID 52897913) is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide is O=C(Nc1nnc(C2CCC2)s1)c1csc(NC2CCCC2)n1.
What is the InChIKey of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is ZEBPSBIVLLRGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c21-12(18-15-20-19-13(23-15)9-4-3-5-9)11-8-22-14(17-11)16-10-6-1-2-7-10/h8-10H,1-7H2,(H,16,17)(H,18,20,21).
What are the key properties of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide?
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 349.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52897913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).