4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide

C14H19N5O3S — CID 46970511

IUPAC4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCOCc1nnc(NC(=O)CCCn2c(C)cc(C)nc2=O)s1
InChIInChI=1S/C14H19N5O3S/c1-9-7-10(2)19(14(21)15-9)6-4-5-11(20)16-13-18-17-12(23-13)8-22-3/h7H,4-6,8H2,1-3H3,(H,16,18,20)
InChIKeyGDKQOTQDTQWKHM-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.28
Rot. Bonds7

About 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide

4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 46970511) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID46970511
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCOCc1nnc(NC(=O)CCCn2c(C)cc(C)nc2=O)s1
InChIInChI=1S/C14H19N5O3S/c1-9-7-10(2)19(14(21)15-9)6-4-5-11(20)16-13-18-17-12(23-13)8-22-3/h7H,4-6,8H2,1-3H3,(H,16,18,20)
InChIKeyGDKQOTQDTQWKHM-UHFFFAOYSA-N
XLogP1.28
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224449
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7746549
3-(2-bromo-4,5-dimethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1406351
3-(4-chlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 108802955
2-(4-bromo-3-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178715
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46971413
2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84561305
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7746542

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 46970511) is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide is COCc1nnc(NC(=O)CCCn2c(C)cc(C)nc2=O)s1.
What is the InChIKey of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is GDKQOTQDTQWKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9-7-10(2)19(14(21)15-9)6-4-5-11(20)16-13-18-17-12(23-13)8-22-3/h7H,4-6,8H2,1-3H3,(H,16,18,20).
What are the key properties of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide?
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 337.41 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 46970511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).