[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine

C12H13ClN2OS — CID 112607840

IUPAC[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1ncc(COc2c(Cl)cccc2CN)s1
InChIInChI=1S/C12H13ClN2OS/c1-8-15-6-10(17-8)7-16-12-9(5-14)3-2-4-11(12)13/h2-4,6H,5,7,14H2,1H3
InChIKeyIWRRBOLKSBQKDA-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.14
Rot. Bonds4

About [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine

[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 112607840) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
PubChem CID112607840
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1ncc(COc2c(Cl)cccc2CN)s1
InChIInChI=1S/C12H13ClN2OS/c1-8-15-6-10(17-8)7-16-12-9(5-14)3-2-4-11(12)13/h2-4,6H,5,7,14H2,1H3
InChIKeyIWRRBOLKSBQKDA-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
[3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanol
CID 63021172
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112607859
1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020144

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine (CID 112607840) is [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine is Cc1ncc(COc2c(Cl)cccc2CN)s1.
What is the InChIKey of [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is IWRRBOLKSBQKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-8-15-6-10(17-8)7-16-12-9(5-14)3-2-4-11(12)13/h2-4,6H,5,7,14H2,1H3.
What are the key properties of [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine?
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 268.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).