4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C12H13ClN2S — CID 43762336

IUPAC4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-8-12(16-7-14-8)9(2)15-11-5-3-10(13)4-6-11/h3-7,9,15H,1-2H3
InChIKeyDNHDBIFUJBEQRC-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 43762336) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID43762336
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-8-12(16-7-14-8)9(2)15-11-5-3-10(13)4-6-11/h3-7,9,15H,1-2H3
InChIKeyDNHDBIFUJBEQRC-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-nitroaniline
CID 43785848
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethylsulfanyl)aniline
CID 43786006
1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 43790812
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788715
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659
N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 75497121
N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43781900
3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
CID 115376388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 43762336) is 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1C(C)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is DNHDBIFUJBEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-12(16-7-14-8)9(2)15-11-5-3-10(13)4-6-11/h3-7,9,15H,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 252.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 43762336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).