N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine

C16H22N2O2S — CID 61330839

IUPACN-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(OC)c1)c1nc(C)cs1
InChIInChI=1S/C16H22N2O2S/c1-5-8-17-15(16-18-11(2)10-21-16)12-6-7-13(19-3)14(9-12)20-4/h6-7,9-10,15,17H,5,8H2,1-4H3
InChIKeyRGGZLJUOTJFDOX-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.56
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine

N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 61330839) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID61330839
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(OC)c1)c1nc(C)cs1
InChIInChI=1S/C16H22N2O2S/c1-5-8-17-15(16-18-11(2)10-21-16)12-6-7-13(19-3)14(9-12)20-4/h6-7,9-10,15,17H,5,8H2,1-4H3
InChIKeyRGGZLJUOTJFDOX-UHFFFAOYSA-N
XLogP3.56
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluoro-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 62121915
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61330535
N-[(3,5-dichlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330656
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019257
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine
CID 61330849
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 61330839) is N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC)c(OC)c1)c1nc(C)cs1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is RGGZLJUOTJFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-8-17-15(16-18-11(2)10-21-16)12-6-7-13(19-3)14(9-12)20-4/h6-7,9-10,15,17H,5,8H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61330839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).