N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C11H13N5O2S — CID 80617310

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2ccc(OC)nc2)s1
InChIInChI=1S/C11H13N5O2S/c1-12-11-16-15-10(19-11)9(17)14-6-7-3-4-8(18-2)13-5-7/h3-5H,6H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyROMZHPUGTGRGJB-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.91
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617310) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617310
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2ccc(OC)nc2)s1
InChIInChI=1S/C11H13N5O2S/c1-12-11-16-15-10(19-11)9(17)14-6-7-3-4-8(18-2)13-5-7/h3-5H,6H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyROMZHPUGTGRGJB-UHFFFAOYSA-N
XLogP0.91
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113264929

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80617310) is N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCc2ccc(OC)nc2)s1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ROMZHPUGTGRGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-12-11-16-15-10(19-11)9(17)14-6-7-3-4-8(18-2)13-5-7/h3-5H,6H2,1-2H3,(H,12,16)(H,14,17).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 279.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).