N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C13H18N2OS — CID 658531

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNC2=NCC(C)S2)cc1
InChIInChI=1S/C13H18N2OS/c1-10-9-15-13(17-10)14-8-7-11-3-5-12(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyPSQLIEVXBXNABP-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.32
Rot. Bonds4

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

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 658531) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID658531
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNC2=NCC(C)S2)cc1
InChIInChI=1S/C13H18N2OS/c1-10-9-15-13(17-10)14-8-7-11-3-5-12(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyPSQLIEVXBXNABP-UHFFFAOYSA-N
XLogP2.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296287
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428438
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280964
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 83153478
N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971833
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 658531) is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(CCNC2=NCC(C)S2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PSQLIEVXBXNABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-9-15-13(17-10)14-8-7-11-3-5-12(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 658531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).