(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate

C19H15N5O3S — CID 71205541

IUPAC(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)Oc2snnc2C)nc1
InChIInChI=1S/C19H15N5O3S/c1-11-3-4-13(17-20-7-8-26-17)9-15(11)14-5-6-16(21-10-14)22-19(25)27-18-12(2)23-24-28-18/h3-10H,1-2H3,(H,21,22,25)
InChIKeyPMVKCQVWAIXDGW-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.48
Rot. Bonds4

About (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate

(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate (PubChem CID 71205541) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate
PubChem CID71205541
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)Oc2snnc2C)nc1
InChIInChI=1S/C19H15N5O3S/c1-11-3-4-13(17-20-7-8-26-17)9-15(11)14-5-6-16(21-10-14)22-19(25)27-18-12(2)23-24-28-18/h3-10H,1-2H3,(H,21,22,25)
InChIKeyPMVKCQVWAIXDGW-UHFFFAOYSA-N
XLogP4.48
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate?
The IUPAC name of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate (CID 71205541) is (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate.
What is the SMILES notation for (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate?
The canonical SMILES for (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)Oc2snnc2C)nc1.
What is the InChIKey of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate?
The InChIKey is PMVKCQVWAIXDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-11-3-4-13(17-20-7-8-26-17)9-15(11)14-5-6-16(21-10-14)22-19(25)27-18-12(2)23-24-28-18/h3-10H,1-2H3,(H,21,22,25).
What are the key properties of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate?
(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate has a molecular weight of 393.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 71205541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).