N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide

C18H14N6O2S — CID 166162977

IUPACN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3ncncc3c2)s1
InChIInChI=1S/C18H14N6O2S/c1-10-5-13(11-3-4-15-12(6-11)7-19-9-21-15)14(8-20-10)16(25)22-17-23-24-18(26-2)27-17/h3-9H,1-2H3,(H,22,23,25)
InChIKeyIEQHVJSCWCCWPO-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.11
Rot. Bonds4

About N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide

N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide (PubChem CID 166162977) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide
PubChem CID166162977
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3ncncc3c2)s1
InChIInChI=1S/C18H14N6O2S/c1-10-5-13(11-3-4-15-12(6-11)7-19-9-21-15)14(8-20-10)16(25)22-17-23-24-18(26-2)27-17/h3-9H,1-2H3,(H,22,23,25)
InChIKeyIEQHVJSCWCCWPO-UHFFFAOYSA-N
XLogP3.11
TPSA102.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinolin-3-ylpyridine-3-carboxamide
CID 166163457
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
CID 166163327
4-(3-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163397
4-(3,5-dimethylphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162955
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163114
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 166163058
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 166163091
4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163398
4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162898
4-(6-cyano-4-methyl-3-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163220
4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163152
4-(2-acetyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163081

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide?
The IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide (CID 166162977) is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide?
The canonical SMILES for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide is COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3ncncc3c2)s1.
What is the InChIKey of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide?
The InChIKey is IEQHVJSCWCCWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c1-10-5-13(11-3-4-15-12(6-11)7-19-9-21-15)14(8-20-10)16(25)22-17-23-24-18(26-2)27-17/h3-9H,1-2H3,(H,22,23,25).
What are the key properties of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide?
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide is sourced from PubChem (CID 166162977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).