1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C13H20N6OS — CID 71870194

IUPAC1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCC(C)c1csc(NC(=O)NC(C)Cn2cncn2)n1
InChIInChI=1S/C13H20N6OS/c1-4-9(2)11-6-21-13(17-11)18-12(20)16-10(3)5-19-8-14-7-15-19/h6-10H,4-5H2,1-3H3,(H2,16,17,18,20)
InChIKeyJNHZTPJIPAWIQM-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.46
Rot. Bonds6

About 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 71870194) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID71870194
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCC(C)c1csc(NC(=O)NC(C)Cn2cncn2)n1
InChIInChI=1S/C13H20N6OS/c1-4-9(2)11-6-21-13(17-11)18-12(20)16-10(3)5-19-8-14-7-15-19/h6-10H,4-5H2,1-3H3,(H2,16,17,18,20)
InChIKeyJNHZTPJIPAWIQM-UHFFFAOYSA-N
XLogP2.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-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-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 29023480
1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 110911522
N-[4-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95237231
1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125174038
1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125177949
1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 131937080
N,N-diethyl-3-methyl-4-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzamide
CID 125176908
1-(5-acetyl-2-ethoxyphenyl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125167955
1-[2-(piperidin-1-ylmethyl)phenyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97284665
1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 72868222
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 111455045

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 71870194) is 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CCC(C)c1csc(NC(=O)NC(C)Cn2cncn2)n1.
What is the InChIKey of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is JNHZTPJIPAWIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-9(2)11-6-21-13(17-11)18-12(20)16-10(3)5-19-8-14-7-15-19/h6-10H,4-5H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 308.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 71870194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).