N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

C9H11N3S2 — CID 65199569

IUPACN-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1nnsc1CNCc1cccs1
InChIInChI=1S/C9H11N3S2/c1-7-9(14-12-11-7)6-10-5-8-3-2-4-13-8/h2-4,10H,5-6H2,1H3
InChIKeyLWKOPOUQEQPUON-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 65199569) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID65199569
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1nnsc1CNCc1cccs1
InChIInChI=1S/C9H11N3S2/c1-7-9(14-12-11-7)6-10-5-8-3-2-4-13-8/h2-4,10H,5-6H2,1H3
InChIKeyLWKOPOUQEQPUON-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
1-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 78928667
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 165445282
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43644955
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (CID 65199569) is N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1nnsc1CNCc1cccs1.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is LWKOPOUQEQPUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-7-9(14-12-11-7)6-10-5-8-3-2-4-13-8/h2-4,10H,5-6H2,1H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 65199569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).