3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine

C12H14ClN3S — CID 62759450

IUPAC3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NCc1cncs1
InChIInChI=1S/C12H14ClN3S/c1-16(2)12-10(13)4-3-5-11(12)15-7-9-6-14-8-17-9/h3-6,8,15H,7H2,1-2H3
InChIKeyNWIKMCYUEDSDNG-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.47
Rot. Bonds4

About 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine

3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine (PubChem CID 62759450) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
PubChem CID62759450
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NCc1cncs1
InChIInChI=1S/C12H14ClN3S/c1-16(2)12-10(13)4-3-5-11(12)15-7-9-6-14-8-17-9/h3-6,8,15H,7H2,1-2H3
InChIKeyNWIKMCYUEDSDNG-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine (CID 62759450) is 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine is CN(C)c1c(Cl)cccc1NCc1cncs1.
What is the InChIKey of 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine?
The InChIKey is NWIKMCYUEDSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-16(2)12-10(13)4-3-5-11(12)15-7-9-6-14-8-17-9/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine?
3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine has a molecular weight of 267.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 62759450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).