N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C15H21N5S — CID 133317599

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(N3CCCCCC3)nc2)n1
InChIInChI=1S/C15H21N5S/c1-12-18-15(21-19-12)17-11-13-6-7-14(16-10-13)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18,19)
InChIKeyNQEFARVMDQNKPO-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.23
Rot. Bonds4

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133317599) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133317599
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(N3CCCCCC3)nc2)n1
InChIInChI=1S/C15H21N5S/c1-12-18-15(21-19-12)17-11-13-6-7-14(16-10-13)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18,19)
InChIKeyNQEFARVMDQNKPO-UHFFFAOYSA-N
XLogP3.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319260
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318360
3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133317905
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 56796844
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 56815452
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
CID 133317555

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133317599) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ccc(N3CCCCCC3)nc2)n1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NQEFARVMDQNKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-12-18-15(21-19-12)17-11-13-6-7-14(16-10-13)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18,19).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 303.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133317599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).