N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine

C10H12N2S2 — CID 116885891

IUPACN,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
SMILESCNc1sc(-c2sccc2C)nc1C
InChIInChI=1S/C10H12N2S2/c1-6-4-5-13-8(6)10-12-7(2)9(11-3)14-10/h4-5,11H,1-3H3
InChIKeyGMERLZIZAHXRTP-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.53
Rot. Bonds2

About N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine

N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine (PubChem CID 116885891) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
PubChem CID116885891
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC NameN,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
SMILESCNc1sc(-c2sccc2C)nc1C
InChIInChI=1S/C10H12N2S2/c1-6-4-5-13-8(6)10-12-7(2)9(11-3)14-10/h4-5,11H,1-3H3
InChIKeyGMERLZIZAHXRTP-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?
The IUPAC name of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine (CID 116885891) is N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?
The canonical SMILES for N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine is CNc1sc(-c2sccc2C)nc1C.
What is the InChIKey of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?
The InChIKey is GMERLZIZAHXRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-6-4-5-13-8(6)10-12-7(2)9(11-3)14-10/h4-5,11H,1-3H3.
What are the key properties of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?
N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine has a molecular weight of 224.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 116885891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).