1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide

C17H22N4OS — CID 119319900

IUPAC1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)C2(N)CCCC2)s1
InChIInChI=1S/C17H22N4OS/c1-16(2,12-8-4-3-5-9-12)14-20-21-15(23-14)19-13(22)17(18)10-6-7-11-17/h3-5,8-9H,6-7,10-11,18H2,1-2H3,(H,19,21,22)
InChIKeyPNPRLGKQAVNVEB-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.07
Rot. Bonds4

About 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide

1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 119319900) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID119319900
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)C2(N)CCCC2)s1
InChIInChI=1S/C17H22N4OS/c1-16(2,12-8-4-3-5-9-12)14-20-21-15(23-14)19-13(22)17(18)10-6-7-11-17/h3-5,8-9H,6-7,10-11,18H2,1-2H3,(H,19,21,22)
InChIKeyPNPRLGKQAVNVEB-UHFFFAOYSA-N
XLogP3.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119705865
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119319888
1-amino-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119264879
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119777248
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119855739
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 119777277
1-amino-N-(5-phenyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119287697
2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid
CID 65464716
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119777279
1-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclopentane-1-carboxamide
CID 60852989

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide (CID 119319900) is 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide is CC(C)(c1ccccc1)c1nnc(NC(=O)C2(N)CCCC2)s1.
What is the InChIKey of 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is PNPRLGKQAVNVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-16(2,12-8-4-3-5-9-12)14-20-21-15(23-14)19-13(22)17(18)10-6-7-11-17/h3-5,8-9H,6-7,10-11,18H2,1-2H3,(H,19,21,22).
What are the key properties of 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119319900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).