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

C18H26N4S — CID 133358837

IUPACN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C18H26N4S/c1-14(2)17-20-18(23-21-17)19-12-15-6-8-16(9-7-15)13-22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,20,21)
InChIKeyMYRCYLCEWIMHKR-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.26
Rot. Bonds6

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

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133358837) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133358837
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C18H26N4S/c1-14(2)17-20-18(23-21-17)19-12-15-6-8-16(9-7-15)13-22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,20,21)
InChIKeyMYRCYLCEWIMHKR-UHFFFAOYSA-N
XLogP4.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 82872726
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133317905
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133317599
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 82610599
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133358837) is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCc2ccc(CN3CCCCC3)cc2)n1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is MYRCYLCEWIMHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-14(2)17-20-18(23-21-17)19-12-15-6-8-16(9-7-15)13-22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,20,21).
What are the key properties of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 330.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).