1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea

C16H29N5OS — CID 22510841

IUPAC1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
SMILESCC(C)CN(CC(C)C)c1nnc(NC(=O)NC2CCCC2)s1
InChIInChI=1S/C16H29N5OS/c1-11(2)9-21(10-12(3)4)16-20-19-15(23-16)18-14(22)17-13-7-5-6-8-13/h11-13H,5-10H2,1-4H3,(H2,17,18,19,22)
InChIKeyISXRUWVIGWFBJW-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.72
Rot. Bonds7

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

1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea (PubChem CID 22510841) has the molecular formula C16H29N5OS and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
PubChem CID22510841
Molecular FormulaC16H29N5OS
Molecular Weight339.51 g/mol
Exact Mass339.21
IUPAC Name1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
SMILESCC(C)CN(CC(C)C)c1nnc(NC(=O)NC2CCCC2)s1
InChIInChI=1S/C16H29N5OS/c1-11(2)9-21(10-12(3)4)16-20-19-15(23-16)18-14(22)17-13-7-5-6-8-13/h11-13H,5-10H2,1-4H3,(H2,17,18,19,22)
InChIKeyISXRUWVIGWFBJW-UHFFFAOYSA-N
XLogP3.72
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea (CID 22510841) is 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea is CC(C)CN(CC(C)C)c1nnc(NC(=O)NC2CCCC2)s1.
What is the InChIKey of 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
The InChIKey is ISXRUWVIGWFBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5OS/c1-11(2)9-21(10-12(3)4)16-20-19-15(23-16)18-14(22)17-13-7-5-6-8-13/h11-13H,5-10H2,1-4H3,(H2,17,18,19,22).
What are the key properties of 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea?
1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea has a molecular weight of 339.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 22510841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).