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

C13H15ClN2OS — CID 63296598

IUPACN-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H15ClN2OS/c1-17-11-5-4-9(14)6-10(11)16-13-15-7-12(18-13)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H,15,16)
InChIKeyWJXMWLDWAIAHGQ-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.64
Rot. Bonds3

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

N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296598) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296598
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H15ClN2OS/c1-17-11-5-4-9(14)6-10(11)16-13-15-7-12(18-13)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H,15,16)
InChIKeyWJXMWLDWAIAHGQ-UHFFFAOYSA-N
XLogP3.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 7059302
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164957
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036614
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63296598) is N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(Cl)cc1NC1=NCC(C2CC2)S1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WJXMWLDWAIAHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-17-11-5-4-9(14)6-10(11)16-13-15-7-12(18-13)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).