5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C12H13ClN2S — CID 60941064

IUPAC5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cc(Cl)ccc2C)s1
InChIInChI=1S/C12H13ClN2S/c1-8-3-4-10(13)5-12(8)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3
InChIKeyUQXQOPGBYBOMCB-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.03
Rot. Bonds3

About 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941064) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941064
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cc(Cl)ccc2C)s1
InChIInChI=1S/C12H13ClN2S/c1-8-3-4-10(13)5-12(8)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3
InChIKeyUQXQOPGBYBOMCB-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenecarbothioamide
CID 62493698
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 60941998
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868744
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
6-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 107266335
3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 63092764
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
4-fluoro-5-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 103590044
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114835766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941064) is 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2cc(Cl)ccc2C)s1.
What is the InChIKey of 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is UQXQOPGBYBOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-3-4-10(13)5-12(8)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 252.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).