N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C16H23N3S2 — CID 106260760

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C16H23N3S2/c1-11(2)10-14-18-19-16(21-14)17-15(12-6-3-4-7-12)13-8-5-9-20-13/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3,(H,17,19)
InChIKeyVBIBEIXCLVKNDD-UHFFFAOYSA-N
MW321.52 g/mol
LogP5.14
Rot. Bonds6

About N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260760) has the molecular formula C16H23N3S2 and a molecular weight of 321.52 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260760
Molecular FormulaC16H23N3S2
Molecular Weight321.52 g/mol
Exact Mass321.13
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C16H23N3S2/c1-11(2)10-14-18-19-16(21-14)17-15(12-6-3-4-7-12)13-8-5-9-20-13/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3,(H,17,19)
InChIKeyVBIBEIXCLVKNDD-UHFFFAOYSA-N
XLogP5.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine 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

N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
CID 65469886
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine
CID 106260958
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 97159489
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260760) is N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC(c2cccs2)C2CCCC2)s1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VBIBEIXCLVKNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S2/c1-11(2)10-14-18-19-16(21-14)17-15(12-6-3-4-7-12)13-8-5-9-20-13/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3,(H,17,19).
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 321.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).