1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

C16H23N3OS — CID 105179011

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H23N3OS/c1-6-7-13-16(21-19-18-13)15(17-4)12-8-11(3)14(20-5)9-10(12)2/h8-9,15,17H,6-7H2,1-5H3
InChIKeyUOMWLRQHBWPGPQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105179011) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105179011
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H23N3OS/c1-6-7-13-16(21-19-18-13)15(17-4)12-8-11(3)14(20-5)9-10(12)2/h8-9,15,17H,6-7H2,1-5H3
InChIKeyUOMWLRQHBWPGPQ-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105179103
1-(2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105120034
1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105145197
[(2-methoxy-4,6-dimethylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 106682929
1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105145714
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105178581
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105141285
N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105161965
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (CID 105179011) is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)c1cc(C)c(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is UOMWLRQHBWPGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-6-7-13-16(21-19-18-13)15(17-4)12-8-11(3)14(20-5)9-10(12)2/h8-9,15,17H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 305.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105179011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).