2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide

C11H10N2S2 — CID 724012

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
SMILESNC(=S)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H10N2S2/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,14)
InChIKeySSYYFONFBSKVFR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide

2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide (PubChem CID 724012) has the molecular formula C11H10N2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
PubChem CID724012
Molecular FormulaC11H10N2S2
Molecular Weight234.35 g/mol
Exact Mass234.03
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
SMILESNC(=S)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H10N2S2/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,14)
InChIKeySSYYFONFBSKVFR-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione
CID 27439636
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 116601053
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
4-(4-phenyl-1,3-thiazol-2-yl)but-2-yn-1-ol
CID 79817698
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide (CID 724012) is 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide is NC(=S)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide?
The InChIKey is SSYYFONFBSKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S2/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,14).
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide?
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide has a molecular weight of 234.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide is sourced from PubChem (CID 724012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).