1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea

C13H23N3O2S — CID 97228774

IUPAC1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC[C@H](O)CCNC(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C13H23N3O2S/c1-4-10(17)5-6-14-12(18)16-13-15-8-11(19-13)7-9(2)3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,16,18)/t10-/m0/s1
InChIKeyWARRQAXFRXTILK-JTQLQIEISA-N
MW285.41 g/mol
LogP2.62
Rot. Bonds7

About 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea

1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (PubChem CID 97228774) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
PubChem CID97228774
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC[C@H](O)CCNC(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C13H23N3O2S/c1-4-10(17)5-6-14-12(18)16-13-15-8-11(19-13)7-9(2)3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,16,18)/t10-/m0/s1
InChIKeyWARRQAXFRXTILK-JTQLQIEISA-N
XLogP2.62
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (CID 97228774) is 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is CC[C@H](O)CCNC(=O)Nc1ncc(CC(C)C)s1.
What is the InChIKey of 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The InChIKey is WARRQAXFRXTILK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-10(17)5-6-14-12(18)16-13-15-8-11(19-13)7-9(2)3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,16,18)/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea has a molecular weight of 285.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypentyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 97228774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).