5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide

C14H17N3S2 — CID 106036205

IUPAC5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
SMILESCc1ccc(NCCc2csc(C)n2)c(C(N)=S)c1
InChIInChI=1S/C14H17N3S2/c1-9-3-4-13(12(7-9)14(15)18)16-6-5-11-8-19-10(2)17-11/h3-4,7-8,16H,5-6H2,1-2H3,(H2,15,18)
InChIKeyKRZVZHRZRSVYSU-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.05
Rot. Bonds5

About 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide

5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide (PubChem CID 106036205) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide.

Molecular Properties

Compound Name5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
PubChem CID106036205
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
SMILESCc1ccc(NCCc2csc(C)n2)c(C(N)=S)c1
InChIInChI=1S/C14H17N3S2/c1-9-3-4-13(12(7-9)14(15)18)16-6-5-11-8-19-10(2)17-11/h3-4,7-8,16H,5-6H2,1-2H3,(H2,15,18)
InChIKeyKRZVZHRZRSVYSU-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.05
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

6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036160
5-methyl-2-[2-(1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 114017092
2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
CID 133468064
4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036173
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434
5-methyl-2-[(6-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 107928888
5-fluoro-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 63674073
2-(2,2-dimethylpropylamino)-5-methylbenzenecarbothioamide
CID 107928610
1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106036005
2-bromo-5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 103773108

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide?
The IUPAC name of 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide (CID 106036205) is 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide.
What is the SMILES notation for 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide?
The canonical SMILES for 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide is Cc1ccc(NCCc2csc(C)n2)c(C(N)=S)c1.
What is the InChIKey of 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide?
The InChIKey is KRZVZHRZRSVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-9-3-4-13(12(7-9)14(15)18)16-6-5-11-8-19-10(2)17-11/h3-4,7-8,16H,5-6H2,1-2H3,(H2,15,18).
What are the key properties of 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide?
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide has a molecular weight of 291.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide is sourced from PubChem (CID 106036205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).