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

C5H7ClN2S — CID 54465042

IUPAC2-chloro-N,N-dimethyl-1,3-thiazol-5-amine
SMILESCN(C)c1cnc(Cl)s1
InChIInChI=1S/C5H7ClN2S/c1-8(2)4-3-7-5(6)9-4/h3H,1-2H3
InChIKeyXEGBBRXJSJTUOS-UHFFFAOYSA-N
MW162.65 g/mol
LogP1.86
Rot. Bonds1

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

2-chloro-N,N-dimethyl-1,3-thiazol-5-amine (PubChem CID 54465042) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-1,3-thiazol-5-amine
PubChem CID54465042
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name2-chloro-N,N-dimethyl-1,3-thiazol-5-amine
SMILESCN(C)c1cnc(Cl)s1
InChIInChI=1S/C5H7ClN2S/c1-8(2)4-3-7-5(6)9-4/h3H,1-2H3
InChIKeyXEGBBRXJSJTUOS-UHFFFAOYSA-N
XLogP1.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine (CID 54465042) is 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine is CN(C)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine?
The InChIKey is XEGBBRXJSJTUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S/c1-8(2)4-3-7-5(6)9-4/h3H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine?
2-chloro-N,N-dimethyl-1,3-thiazol-5-amine has a molecular weight of 162.65 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-1,3-thiazol-5-amine is sourced from PubChem (CID 54465042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).