N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

C12H19N3OS — CID 1226022

IUPACN-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(CC2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)11(16)13-12-15-14-10(17-12)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyHULGWDWDPUBCFE-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.87
Rot. Bonds4

About N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 1226022) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID1226022
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(CC2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)11(16)13-12-15-14-10(17-12)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyHULGWDWDPUBCFE-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
CID 2470137
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 702129
Propionamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 213280
Propionamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-
CID 3065345
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 655064
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 847063
2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
CID 741742
3-cyclohexyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 889545
3-cyclohexyl-N-(5-tert-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4986684
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 8750027
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 16322265
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 745391

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 1226022) is N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nnc(CC2CCCC2)s1.
What is the InChIKey of N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is HULGWDWDPUBCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)11(16)13-12-15-14-10(17-12)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 1226022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).