1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea

C15H25N5OS — CID 22510809

IUPAC1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
SMILESCN(c1nnc(NC(=O)NC2CCCC2)s1)C1CCCCC1
InChIInChI=1S/C15H25N5OS/c1-20(12-9-3-2-4-10-12)15-19-18-14(22-15)17-13(21)16-11-7-5-6-8-11/h11-12H,2-10H2,1H3,(H2,16,17,18,21)
InChIKeyGJZKKEWCHBVTAO-UHFFFAOYSA-N
MW323.47 g/mol
LogP3.37
Rot. Bonds4

About 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea

1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea (PubChem CID 22510809) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
PubChem CID22510809
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
SMILESCN(c1nnc(NC(=O)NC2CCCC2)s1)C1CCCCC1
InChIInChI=1S/C15H25N5OS/c1-20(12-9-3-2-4-10-12)15-19-18-14(22-15)17-13(21)16-11-7-5-6-8-11/h11-12H,2-10H2,1H3,(H2,16,17,18,21)
InChIKeyGJZKKEWCHBVTAO-UHFFFAOYSA-N
XLogP3.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea (CID 22510809) is 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea is CN(c1nnc(NC(=O)NC2CCCC2)s1)C1CCCCC1.
What is the InChIKey of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
The InChIKey is GJZKKEWCHBVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-20(12-9-3-2-4-10-12)15-19-18-14(22-15)17-13(21)16-11-7-5-6-8-11/h11-12H,2-10H2,1H3,(H2,16,17,18,21).
What are the key properties of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea has a molecular weight of 323.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 22510809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).