N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine

C13H16N2S2 — CID 79773840

IUPACN-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2ccc(C)cc2)s1
InChIInChI=1S/C13H16N2S2/c1-3-14-13-15-8-12(17-13)9-16-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyKNXJXQJWULSAPW-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.18
Rot. Bonds5

About N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine

N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 79773840) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID79773840
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2ccc(C)cc2)s1
InChIInChI=1S/C13H16N2S2/c1-3-14-13-15-8-12(17-13)9-16-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyKNXJXQJWULSAPW-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 79773840) is N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine is CCNc1ncc(CSc2ccc(C)cc2)s1.
What is the InChIKey of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is KNXJXQJWULSAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-3-14-13-15-8-12(17-13)9-16-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 264.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79773840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).