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

C17H22N4OS — CID 119777248

IUPAC3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)C2CCC(N)C2)s1
InChIInChI=1S/C17H22N4OS/c1-17(2,12-6-4-3-5-7-12)15-20-21-16(23-15)19-14(22)11-8-9-13(18)10-11/h3-7,11,13H,8-10,18H2,1-2H3,(H,19,21,22)
InChIKeyLJNXTZWCIBBMAN-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.93
Rot. Bonds4

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

3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 119777248) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID119777248
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)C2CCC(N)C2)s1
InChIInChI=1S/C17H22N4OS/c1-17(2,12-6-4-3-5-7-12)15-20-21-16(23-15)19-14(22)11-8-9-13(18)10-11/h3-7,11,13H,8-10,18H2,1-2H3,(H,19,21,22)
InChIKeyLJNXTZWCIBBMAN-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119705195
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119319888
1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119319900
N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119777279
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119820909
N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 18430303
(2S)-1-(furan-2-carbonyl)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 86896513
3-amino-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
CID 114912547
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324
methyl 4-[5-[(3-aminocyclopentanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butanoate
CID 119796335

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide (CID 119777248) is 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide is CC(C)(c1ccccc1)c1nnc(NC(=O)C2CCC(N)C2)s1.
What is the InChIKey of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is LJNXTZWCIBBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-17(2,12-6-4-3-5-7-12)15-20-21-16(23-15)19-14(22)11-8-9-13(18)10-11/h3-7,11,13H,8-10,18H2,1-2H3,(H,19,21,22).
What are the key properties of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
3-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 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119777248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).