4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

C12H13ClN2OS — CID 83153478

IUPAC4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(Cl)cs2)cc1
InChIInChI=1S/C12H13ClN2OS/c1-16-10-4-2-9(3-5-10)6-7-14-12-15-11(13)8-17-12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyWJUNUTIQMMXPGB-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.46
Rot. Bonds5

About 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 83153478) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID83153478
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(Cl)cs2)cc1
InChIInChI=1S/C12H13ClN2OS/c1-16-10-4-2-9(3-5-10)6-7-14-12-15-11(13)8-17-12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyWJUNUTIQMMXPGB-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280964
4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 83153720
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 84761943
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 83153478) is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is COc1ccc(CCNc2nc(Cl)cs2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is WJUNUTIQMMXPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-16-10-4-2-9(3-5-10)6-7-14-12-15-11(13)8-17-12/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 268.77 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83153478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).