N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine

C16H24N4S — CID 91764726

IUPACN,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine
SMILESCc1nnsc1CN(C)Cc1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C16H24N4S/c1-12-16(21-18-17-12)11-20(5)10-14-6-8-15(9-7-14)13(2)19(3)4/h6-9,13H,10-11H2,1-5H3
InChIKeyJBSOYYAZXCHXMA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.10
Rot. Bonds6

About N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine

N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine (PubChem CID 91764726) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine
PubChem CID91764726
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine
SMILESCc1nnsc1CN(C)Cc1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C16H24N4S/c1-12-16(21-18-17-12)11-20(5)10-14-6-8-15(9-7-14)13(2)19(3)4/h6-9,13H,10-11H2,1-5H3
InChIKeyJBSOYYAZXCHXMA-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine (CID 91764726) is N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine is Cc1nnsc1CN(C)Cc1ccc(C(C)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine?
The InChIKey is JBSOYYAZXCHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-12-16(21-18-17-12)11-20(5)10-14-6-8-15(9-7-14)13(2)19(3)4/h6-9,13H,10-11H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine?
N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 91764726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).