4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine

C10H9ClN2OS — CID 83912621

IUPAC4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine
SMILESCOc1cccc(-c2snc(N)c2Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-14-7-4-2-3-6(5-7)9-8(11)10(12)13-15-9/h2-5H,1H3,(H2,12,13)
InChIKeyMAESIPYLHSMDLU-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.05
Rot. Bonds2

About 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine

4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine (PubChem CID 83912621) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine
PubChem CID83912621
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine
SMILESCOc1cccc(-c2snc(N)c2Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-14-7-4-2-3-6(5-7)9-8(11)10(12)13-15-9/h2-5H,1H3,(H2,12,13)
InChIKeyMAESIPYLHSMDLU-UHFFFAOYSA-N
XLogP3.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
2-chloro-5-(3-methoxyphenyl)pyridin-3-amine
CID 105495489
4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
CID 13073206
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80644815
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine?
The IUPAC name of 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine (CID 83912621) is 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine is COc1cccc(-c2snc(N)c2Cl)c1.
What is the InChIKey of 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine?
The InChIKey is MAESIPYLHSMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-14-7-4-2-3-6(5-7)9-8(11)10(12)13-15-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine?
4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine has a molecular weight of 240.72 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine is sourced from PubChem (CID 83912621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).