N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

C19H20N6O2S — CID 39749795

IUPACN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCc1ccccc1-c1nnc(NC(=O)N2CCC(Oc3ncccn3)CC2)s1
InChIInChI=1S/C19H20N6O2S/c1-13-5-2-3-6-15(13)16-23-24-18(28-16)22-19(26)25-11-7-14(8-12-25)27-17-20-9-4-10-21-17/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,22,24,26)
InChIKeyWCLWAHFCEUMMHE-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.38
Rot. Bonds4

About N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 39749795) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID39749795
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCc1ccccc1-c1nnc(NC(=O)N2CCC(Oc3ncccn3)CC2)s1
InChIInChI=1S/C19H20N6O2S/c1-13-5-2-3-6-15(13)16-23-24-18(28-16)22-19(26)25-11-7-14(8-12-25)27-17-20-9-4-10-21-17/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,22,24,26)
InChIKeyWCLWAHFCEUMMHE-UHFFFAOYSA-N
XLogP3.38
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 39749795) is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is Cc1ccccc1-c1nnc(NC(=O)N2CCC(Oc3ncccn3)CC2)s1.
What is the InChIKey of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is WCLWAHFCEUMMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-13-5-2-3-6-15(13)16-23-24-18(28-16)22-19(26)25-11-7-14(8-12-25)27-17-20-9-4-10-21-17/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,22,24,26).
What are the key properties of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 39749795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).