N-methyl-1,3-thiazol-4-amine

C4H6N2S — CID 18730104

IUPACN-methyl-1,3-thiazol-4-amine
SMILESCNc1cscn1
InChIInChI=1S/C4H6N2S/c1-5-4-2-7-3-6-4/h2-3,5H,1H3
InChIKeyYRCWSBFWGSYAJH-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.18
Rot. Bonds1

About N-methyl-1,3-thiazol-4-amine

N-methyl-1,3-thiazol-4-amine (PubChem CID 18730104) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is N-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-methyl-1,3-thiazol-4-amine
PubChem CID18730104
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC NameN-methyl-1,3-thiazol-4-amine
SMILESCNc1cscn1
InChIInChI=1S/C4H6N2S/c1-5-4-2-7-3-6-4/h2-3,5H,1H3
InChIKeyYRCWSBFWGSYAJH-UHFFFAOYSA-N
XLogP1.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-thiazol-4-amine?
The IUPAC name of N-methyl-1,3-thiazol-4-amine (CID 18730104) is N-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for N-methyl-1,3-thiazol-4-amine?
The canonical SMILES for N-methyl-1,3-thiazol-4-amine is CNc1cscn1.
What is the InChIKey of N-methyl-1,3-thiazol-4-amine?
The InChIKey is YRCWSBFWGSYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-5-4-2-7-3-6-4/h2-3,5H,1H3.
What are the key properties of N-methyl-1,3-thiazol-4-amine?
N-methyl-1,3-thiazol-4-amine has a molecular weight of 114.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 18730104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).