N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine

C10H12ClN3S2 — CID 60699719

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1nnsc1Cl
InChIInChI=1S/C10H12ClN3S2/c1-7(9-4-3-5-15-9)14(2)6-8-10(11)16-13-12-8/h3-5,7H,6H2,1-2H3
InChIKeyXPINSVKQPAMCSR-UHFFFAOYSA-N
MW273.81 g/mol
LogP3.45
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 60699719) has the molecular formula C10H12ClN3S2 and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID60699719
Molecular FormulaC10H12ClN3S2
Molecular Weight273.81 g/mol
Exact Mass273.02
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1nnsc1Cl
InChIInChI=1S/C10H12ClN3S2/c1-7(9-4-3-5-15-9)14(2)6-8-10(11)16-13-12-8/h3-5,7H,6H2,1-2H3
InChIKeyXPINSVKQPAMCSR-UHFFFAOYSA-N
XLogP3.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
4-amino-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenol
CID 54980602
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 62431529

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 60699719) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is XPINSVKQPAMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S2/c1-7(9-4-3-5-15-9)14(2)6-8-10(11)16-13-12-8/h3-5,7H,6H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 273.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 60699719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).