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

C14H18N4OS2 — CID 71941757

IUPAC1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C14H18N4OS2/c1-9-17-18-14(21-9)16-13(19)15-12(10-5-2-3-6-10)11-7-4-8-20-11/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,15,16,18,19)
InChIKeySLEMYFUUDGWLAB-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.96
Rot. Bonds4

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

1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 71941757) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID71941757
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C14H18N4OS2/c1-9-17-18-14(21-9)16-13(19)15-12(10-5-2-3-6-10)11-7-4-8-20-11/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,15,16,18,19)
InChIKeySLEMYFUUDGWLAB-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
CID 55697423
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 71894685
1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea
CID 75403796
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94120629
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 71941757) is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)NC(c2cccs2)C2CCCC2)s1.
What is the InChIKey of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is SLEMYFUUDGWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-9-17-18-14(21-9)16-13(19)15-12(10-5-2-3-6-10)11-7-4-8-20-11/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,15,16,18,19).
What are the key properties of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 322.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 71941757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).