4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide

C14H14N2S2 — CID 82435946

IUPAC4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
SMILESCc1ccccc1-c1nc(C2CC2)c(C(N)=S)s1
InChIInChI=1S/C14H14N2S2/c1-8-4-2-3-5-10(8)14-16-11(9-6-7-9)12(18-14)13(15)17/h2-5,9H,6-7H2,1H3,(H2,15,17)
InChIKeyDRLBSHZDUZMZNI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.63
Rot. Bonds3

About 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide

4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82435946) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
PubChem CID82435946
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
SMILESCc1ccccc1-c1nc(C2CC2)c(C(N)=S)s1
InChIInChI=1S/C14H14N2S2/c1-8-4-2-3-5-10(8)14-16-11(9-6-7-9)12(18-14)13(15)17/h2-5,9H,6-7H2,1H3,(H2,15,17)
InChIKeyDRLBSHZDUZMZNI-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide (CID 82435946) is 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide is Cc1ccccc1-c1nc(C2CC2)c(C(N)=S)s1.
What is the InChIKey of 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is DRLBSHZDUZMZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-8-4-2-3-5-10(8)14-16-11(9-6-7-9)12(18-14)13(15)17/h2-5,9H,6-7H2,1H3,(H2,15,17).
What are the key properties of 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 274.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82435946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).