2-chloro-N-methyl-1,3-thiazol-5-amine

C4H5ClN2S — CID 52987740

IUPAC2-chloro-N-methyl-1,3-thiazol-5-amine
SMILESCNc1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2S/c1-6-3-2-7-4(5)8-3/h2,6H,1H3
InChIKeyGKKVXHWSMPCNOU-UHFFFAOYSA-N
MW148.62 g/mol
LogP1.84
Rot. Bonds1

About 2-chloro-N-methyl-1,3-thiazol-5-amine

2-chloro-N-methyl-1,3-thiazol-5-amine (PubChem CID 52987740) has the molecular formula C4H5ClN2S and a molecular weight of 148.62 g/mol. Its IUPAC name is 2-chloro-N-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-1,3-thiazol-5-amine
PubChem CID52987740
Molecular FormulaC4H5ClN2S
Molecular Weight148.62 g/mol
Exact Mass147.99
IUPAC Name2-chloro-N-methyl-1,3-thiazol-5-amine
SMILESCNc1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2S/c1-6-3-2-7-4(5)8-3/h2,6H,1H3
InChIKeyGKKVXHWSMPCNOU-UHFFFAOYSA-N
XLogP1.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.62
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-N-methyl-1,3-thiazol-5-amine (CID 52987740) is 2-chloro-N-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-N-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-N-methyl-1,3-thiazol-5-amine is CNc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-1,3-thiazol-5-amine?
The InChIKey is GKKVXHWSMPCNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S/c1-6-3-2-7-4(5)8-3/h2,6H,1H3.
What are the key properties of 2-chloro-N-methyl-1,3-thiazol-5-amine?
2-chloro-N-methyl-1,3-thiazol-5-amine has a molecular weight of 148.62 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 52987740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).