1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea

C11H14N6OS — CID 75455847

IUPAC1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCn1c(CNC(=O)Nc2nccs2)nnc1C1CC1
InChIInChI=1S/C11H14N6OS/c1-17-8(15-16-9(17)7-2-3-7)6-13-10(18)14-11-12-4-5-19-11/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14,18)
InChIKeyZXVYFFLYIGIQTB-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea

1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 75455847) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID75455847
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCn1c(CNC(=O)Nc2nccs2)nnc1C1CC1
InChIInChI=1S/C11H14N6OS/c1-17-8(15-16-9(17)7-2-3-7)6-13-10(18)14-11-12-4-5-19-11/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14,18)
InChIKeyZXVYFFLYIGIQTB-UHFFFAOYSA-N
XLogP1.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 6458326
2-((5-Cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-2-thiazolylacetamide
CID 6466212
2-[(5-Cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-2-thiazolylacetamide
CID 6470969
2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6471089
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 6501062
2-[(5-butyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 2985038
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 2986542
2-{[5-methyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 6465140
2-[(4-amino-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 24818380
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylpropanamide
CID 2987609
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71892955

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea (CID 75455847) is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea is Cn1c(CNC(=O)Nc2nccs2)nnc1C1CC1.
What is the InChIKey of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is ZXVYFFLYIGIQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-17-8(15-16-9(17)7-2-3-7)6-13-10(18)14-11-12-4-5-19-11/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14,18).
What are the key properties of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 278.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 75455847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).