N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide

C12H12N2S2 — CID 71367194

IUPACN,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide
SMILESCN(C)C(=S)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H12N2S2/c1-14(2)12(15)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyAKMBYCCUFBBLGZ-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.05
Rot. Bonds2

About N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide

N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide (PubChem CID 71367194) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide.

Molecular Properties

Compound NameN,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide
PubChem CID71367194
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC NameN,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide
SMILESCN(C)C(=S)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H12N2S2/c1-14(2)12(15)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyAKMBYCCUFBBLGZ-UHFFFAOYSA-N
XLogP3.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
potassium 4-phenyl-1,3-thiazole-2-carboxylate
CID 59635440
2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid
CID 122111573
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
N-[2-(dimethylamino)pyrimidin-5-yl]-4-phenyl-1,3-thiazole-2-carboxamide
CID 136517401
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133370528
3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2837945
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
(E)-2-[N-ethyl-C-(4-phenyl-1,3-thiazol-2-yl)carbonimidoyl]but-2-enoic acid
CID 144612155

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide?
The IUPAC name of N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide (CID 71367194) is N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide.
What is the SMILES notation for N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide?
The canonical SMILES for N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide is CN(C)C(=S)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide?
The InChIKey is AKMBYCCUFBBLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-14(2)12(15)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide?
N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide has a molecular weight of 248.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide is sourced from PubChem (CID 71367194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).