4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine

C18H18N2OS — CID 2536248

IUPAC4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C18H18N2OS/c1-13(14-8-4-3-5-9-14)19-18-20-16(12-22-18)15-10-6-7-11-17(15)21-2/h3-13H,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyXCPUNGSBKOGZME-ZDUSSCGKSA-N
MW310.42 g/mol
LogP4.99
Rot. Bonds5

About 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine

4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine (PubChem CID 2536248) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
PubChem CID2536248
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C18H18N2OS/c1-13(14-8-4-3-5-9-14)19-18-20-16(12-22-18)15-10-6-7-11-17(15)21-2/h3-13H,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyXCPUNGSBKOGZME-ZDUSSCGKSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
CID 7529068
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
N-cyclopentyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 8961735
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine (CID 2536248) is 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine is COc1ccccc1-c1csc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine?
The InChIKey is XCPUNGSBKOGZME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13(14-8-4-3-5-9-14)19-18-20-16(12-22-18)15-10-6-7-11-17(15)21-2/h3-13H,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine?
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine has a molecular weight of 310.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2536248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).