4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C15H20ClN3S — CID 43741030

IUPAC4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCc1nc(C(C)Nc2cc(Cl)ccc2N(C)C)c(C)s1
InChIInChI=1S/C15H20ClN3S/c1-9(15-10(2)20-11(3)18-15)17-13-8-12(16)6-7-14(13)19(4)5/h6-9,17H,1-5H3
InChIKeyNVZOBLSLHQGSAZ-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.65
Rot. Bonds4

About 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43741030) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43741030
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCc1nc(C(C)Nc2cc(Cl)ccc2N(C)C)c(C)s1
InChIInChI=1S/C15H20ClN3S/c1-9(15-10(2)20-11(3)18-15)17-13-8-12(16)6-7-14(13)19(4)5/h6-9,17H,1-5H3
InChIKeyNVZOBLSLHQGSAZ-UHFFFAOYSA-N
XLogP4.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43741030) is 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is Cc1nc(C(C)Nc2cc(Cl)ccc2N(C)C)c(C)s1.
What is the InChIKey of 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is NVZOBLSLHQGSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-9(15-10(2)20-11(3)18-15)17-13-8-12(16)6-7-14(13)19(4)5/h6-9,17H,1-5H3.
What are the key properties of 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 309.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43741030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).