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

C11H11ClN2OS — CID 107622752

IUPAC5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2cnc(N)s2)ccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-15-10-5-7(2-3-9(10)12)4-8-6-14-11(13)16-8/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyDOKCHSQFOFFDEW-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.98
Rot. Bonds3

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

5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 107622752) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID107622752
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2cnc(N)s2)ccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-15-10-5-7(2-3-9(10)12)4-8-6-14-11(13)16-8/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyDOKCHSQFOFFDEW-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 107622755
5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 103416449
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
CID 107800290
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 16778529
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
CID 79775250
2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 82290567
5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 79050088
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87629601
5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774221

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 107622752) is 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1cc(Cc2cnc(N)s2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DOKCHSQFOFFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-15-10-5-7(2-3-9(10)12)4-8-6-14-11(13)16-8/h2-3,5-6H,4H2,1H3,(H2,13,14).
What are the key properties of 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 254.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107622752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).