N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine

C8H11ClF2N2S — CID 107489976

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N(CCCl)CC(F)F)n1
InChIInChI=1S/C8H11ClF2N2S/c1-6-5-14-8(12-6)13(3-2-9)4-7(10)11/h5,7H,2-4H2,1H3
InChIKeyGXMMABCLBABNET-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.76
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 107489976) has the molecular formula C8H11ClF2N2S and a molecular weight of 240.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID107489976
Molecular FormulaC8H11ClF2N2S
Molecular Weight240.71 g/mol
Exact Mass240.03
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N(CCCl)CC(F)F)n1
InChIInChI=1S/C8H11ClF2N2S/c1-6-5-14-8(12-6)13(3-2-9)4-7(10)11/h5,7H,2-4H2,1H3
InChIKeyGXMMABCLBABNET-UHFFFAOYSA-N
XLogP2.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine (CID 107489976) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(N(CCCl)CC(F)F)n1.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GXMMABCLBABNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2S/c1-6-5-14-8(12-6)13(3-2-9)4-7(10)11/h5,7H,2-4H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 240.71 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107489976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).