2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline

C12H13ClN2OS — CID 39164043

IUPAC2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
SMILESCOCCc1nc(-c2ccc(Cl)c(N)c2)cs1
InChIInChI=1S/C12H13ClN2OS/c1-16-5-4-12-15-11(7-17-12)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5,14H2,1H3
InChIKeyCVDYVQZZGQBZNX-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline

2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline (PubChem CID 39164043) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
PubChem CID39164043
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
SMILESCOCCc1nc(-c2ccc(Cl)c(N)c2)cs1
InChIInChI=1S/C12H13ClN2OS/c1-16-5-4-12-15-11(7-17-12)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5,14H2,1H3
InChIKeyCVDYVQZZGQBZNX-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 39164058
4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152487
(1E)-1-N'-[[4-(3-amino-4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-N'-methylbuta-1,3-diene-1,1,2-triamine
CID 142971524
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
CID 102929160
2-[2-amino-4-(2-propyl-1,3-thiazol-4-yl)phenoxy]acetonitrile
CID 82057793
5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
CID 82057785
4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163122
2-chloro-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094898
methyl 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]benzoate
CID 58127683
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline (CID 39164043) is 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline is COCCc1nc(-c2ccc(Cl)c(N)c2)cs1.
What is the InChIKey of 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is CVDYVQZZGQBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-16-5-4-12-15-11(7-17-12)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline?
2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 268.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 39164043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).