1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine

C15H20ClN3S — CID 107561888

IUPAC1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1snnc1C(C)(C)C
InChIInChI=1S/C15H20ClN3S/c1-9-6-7-10(8-11(9)16)12(17-5)13-14(15(2,3)4)18-19-20-13/h6-8,12,17H,1-5H3
InChIKeyPUNBUPCOUVIFSZ-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.11
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine

1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107561888) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
PubChem CID107561888
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1snnc1C(C)(C)C
InChIInChI=1S/C15H20ClN3S/c1-9-6-7-10(8-11(9)16)12(17-5)13-14(15(2,3)4)18-19-20-13/h6-8,12,17H,1-5H3
InChIKeyPUNBUPCOUVIFSZ-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130322
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105173976
1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175903
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488
(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 105133332
[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105302694
[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320871
[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305034
1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105076322
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148452
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine (CID 107561888) is 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(Cl)c1)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is PUNBUPCOUVIFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-9-6-7-10(8-11(9)16)12(17-5)13-14(15(2,3)4)18-19-20-13/h6-8,12,17H,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 309.87 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107561888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).