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

C19H25N7S — CID 72894851

IUPAC1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCC(C)n1cnnc1CNC1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H25N7S/c1-14(2)26-13-21-22-17(26)12-20-16-8-10-25(11-9-16)19-24-23-18(27-19)15-6-4-3-5-7-15/h3-7,13-14,16,20H,8-12H2,1-2H3
InChIKeyJDHLQZRMEAPHPK-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.14
Rot. Bonds6

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

1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (PubChem CID 72894851) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
PubChem CID72894851
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCC(C)n1cnnc1CNC1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H25N7S/c1-14(2)26-13-21-22-17(26)12-20-16-8-10-25(11-9-16)19-24-23-18(27-19)15-6-4-3-5-7-15/h3-7,13-14,16,20H,8-12H2,1-2H3
InChIKeyJDHLQZRMEAPHPK-UHFFFAOYSA-N
XLogP3.14
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine
CID 162656207
1-[3-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
CID 155568415
4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine
CID 13375843
5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
CID 97101697
2-methyl-5-[[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 124883500
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-5-phenyl-1,3,4-thiadiazol-2-amine
CID 131909559
[1-(3-Fluoro-benzyl)-1H-[1,2,4]triazol-3-yl]-[1-(3-methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-amine
CID 53354638
[1-(4-Fluoro-benzyl)-1H-[1,2,4]triazol-3-yl]-[1-(3-methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-amine
CID 53354731
5-[4-[5-(4-Fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 141318221
3-Phenyl-5-[(5-phenyl-1,3,4-thiadiazol-2-ylamino)met hyl]-4h-1,2,4-triazol-4-amine
CID 129870128
1-[2-(3-Ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]-3-(1-thiophen-2-ylpropyl)guanidine
CID 112064120
2-[3-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133452042

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (CID 72894851) is 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is CC(C)n1cnnc1CNC1CCN(c2nnc(-c3ccccc3)s2)CC1.
What is the InChIKey of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is JDHLQZRMEAPHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-14(2)26-13-21-22-17(26)12-20-16-8-10-25(11-9-16)19-24-23-18(27-19)15-6-4-3-5-7-15/h3-7,13-14,16,20H,8-12H2,1-2H3.
What are the key properties of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 383.53 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72894851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).