N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine

C11H12N2S2 — CID 175177928

IUPACN-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine
SMILESCSN(Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H12N2S2/c1-14-13(11-12-7-8-15-11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFCBNOEZONSTJFK-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.43
Rot. Bonds4

About N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine

N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine (PubChem CID 175177928) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine
PubChem CID175177928
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC NameN-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine
SMILESCSN(Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H12N2S2/c1-14-13(11-12-7-8-15-11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFCBNOEZONSTJFK-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(1,3-thiazol-2-yl)formamide
CID 88636518
N-benzyl-3-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 50960138
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
ethoxycarbonylsulfanyl(1,3-thiazol-2-yl)carbamic acid
CID 150084977
phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371
benzyl N-[[2-[[phenylmethoxycarbonyl(1,3-thiazol-2-yl)amino]methyl]phenyl]methyl]-N-(1,3-thiazol-2-yl)carbamate
CID 24796853
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694015
3-[(4-methylphenyl)methyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309727
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46997406

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine (CID 175177928) is N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine is CSN(Cc1ccccc1)c1nccs1.
What is the InChIKey of N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine?
The InChIKey is FCBNOEZONSTJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-14-13(11-12-7-8-15-11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine?
N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine has a molecular weight of 236.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175177928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).