N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine

C16H23N3OS — CID 105171286

IUPACN-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H23N3OS/c1-5-7-14-16(21-19-18-14)15(17-4)12-8-6-9-13(10-12)20-11(2)3/h6,8-11,15,17H,5,7H2,1-4H3
InChIKeyGDIFPSCHVSQXML-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.59
Rot. Bonds7

About N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine

N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105171286) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105171286
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H23N3OS/c1-5-7-14-16(21-19-18-14)15(17-4)12-8-6-9-13(10-12)20-11(2)3/h6,8-11,15,17H,5,7H2,1-4H3
InChIKeyGDIFPSCHVSQXML-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
[(3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105284851
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105141285
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807684
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105171299
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine (CID 105171286) is N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)c1cccc(OC(C)C)c1.
What is the InChIKey of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is GDIFPSCHVSQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-7-14-16(21-19-18-14)15(17-4)12-8-6-9-13(10-12)20-11(2)3/h6,8-11,15,17H,5,7H2,1-4H3.
What are the key properties of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine?
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 305.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105171286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).