4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

C13H15ClN2S — CID 167934252

IUPAC4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCN(Cc1nc(C)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2S/c1-3-16(8-13-15-10(2)9-17-13)12-6-4-11(14)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyNLMOHQZECYDWDQ-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.13
Rot. Bonds4

About 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 167934252) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID167934252
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCN(Cc1nc(C)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2S/c1-3-16(8-13-15-10(2)9-17-13)12-6-4-11(14)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyNLMOHQZECYDWDQ-UHFFFAOYSA-N
XLogP4.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol
CID 124508201
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
CID 66388647
1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-3-methylaniline
CID 61104342
2-ethyl-4-methyl-1,3-thiazole
CID 27440
4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 59728118
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86783345
4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24947146
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114025336

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 167934252) is 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is CCN(Cc1nc(C)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is NLMOHQZECYDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-3-16(8-13-15-10(2)9-17-13)12-6-4-11(14)5-7-12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 266.80 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 167934252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).