N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C17H24N4OS — CID 136527461

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CN2CCC(CNc3nnc(C)s3)CC2)cc1
InChIInChI=1S/C17H24N4OS/c1-13-19-20-17(23-13)18-11-14-7-9-21(10-8-14)12-15-3-5-16(22-2)6-4-15/h3-6,14H,7-12H2,1-2H3,(H,18,20)
InChIKeySMYOLEOWGKAXLQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.18
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 136527461) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID136527461
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CN2CCC(CNc3nnc(C)s3)CC2)cc1
InChIInChI=1S/C17H24N4OS/c1-13-19-20-17(23-13)18-11-14-7-9-21(10-8-14)12-15-3-5-16(22-2)6-4-15/h3-6,14H,7-12H2,1-2H3,(H,18,20)
InChIKeySMYOLEOWGKAXLQ-UHFFFAOYSA-N
XLogP3.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482531
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209104
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 136527461) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is COc1ccc(CN2CCC(CNc3nnc(C)s3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SMYOLEOWGKAXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-19-20-17(23-13)18-11-14-7-9-21(10-8-14)12-15-3-5-16(22-2)6-4-15/h3-6,14H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 332.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 136527461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).