N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H14N6O2S — CID 72842420

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(c2ccccc2)c2nnc(N)s2)c(=O)[nH]1
InChIInChI=1S/C15H14N6O2S/c1-8-17-7-10(12(22)18-8)13(23)19-11(9-5-3-2-4-6-9)14-20-21-15(16)24-14/h2-7,11H,1H3,(H2,16,21)(H,19,23)(H,17,18,22)
InChIKeyKKGUBSPVOYOVAJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.03
Rot. Bonds4

About N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72842420) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72842420
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(c2ccccc2)c2nnc(N)s2)c(=O)[nH]1
InChIInChI=1S/C15H14N6O2S/c1-8-17-7-10(12(22)18-8)13(23)19-11(9-5-3-2-4-6-9)14-20-21-15(16)24-14/h2-7,11H,1H3,(H2,16,21)(H,19,23)(H,17,18,22)
InChIKeyKKGUBSPVOYOVAJ-UHFFFAOYSA-N
XLogP1.03
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72842420) is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC(c2ccccc2)c2nnc(N)s2)c(=O)[nH]1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KKGUBSPVOYOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-8-17-7-10(12(22)18-8)13(23)19-11(9-5-3-2-4-6-9)14-20-21-15(16)24-14/h2-7,11H,1H3,(H2,16,21)(H,19,23)(H,17,18,22).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72842420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).