N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide

C15H15N3OS2 — CID 164687675

IUPACN-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2csc(NC(=S)NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C15H15N3OS2/c1-9-2-4-10(5-3-9)12-8-21-15(16-12)18-14(20)17-13(19)11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19,20)
InChIKeyDOCNHPAZFMWHFI-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.34
Rot. Bonds3

About N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide

N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide (PubChem CID 164687675) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide
PubChem CID164687675
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2csc(NC(=S)NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C15H15N3OS2/c1-9-2-4-10(5-3-9)12-8-21-15(16-12)18-14(20)17-13(19)11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19,20)
InChIKeyDOCNHPAZFMWHFI-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
(Z)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenylprop-2-enamide
CID 2183439
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 9246518
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide (CID 164687675) is N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide is Cc1ccc(-c2csc(NC(=S)NC(=O)C3CC3)n2)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide?
The InChIKey is DOCNHPAZFMWHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9-2-4-10(5-3-9)12-8-21-15(16-12)18-14(20)17-13(19)11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide?
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 164687675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).