2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C12H19N3OS — CID 47120464

IUPAC2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CC2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyVGCUXJXFOZTULE-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.18
Rot. Bonds4

About 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47120464) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47120464
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CC2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyVGCUXJXFOZTULE-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119695516
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
trans-(1R,2R)-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 95706153
2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 29132499
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 943863
cis-(1S,2R)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959189
trans-(1S,2S)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959187
2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 860551
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-cyclopentyl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51199308

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 47120464) is 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CC2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VGCUXJXFOZTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47120464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).