N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C11H20N4O2S — CID 80616864

IUPACN-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1nnc(NC)s1
InChIInChI=1S/C11H20N4O2S/c1-5-8(2)15(6-7-17-4)10(16)9-13-14-11(12-3)18-9/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyPGRRCQCTEVXOIN-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.47
Rot. Bonds7

About N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616864) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616864
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1nnc(NC)s1
InChIInChI=1S/C11H20N4O2S/c1-5-8(2)15(6-7-17-4)10(16)9-13-14-11(12-3)18-9/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyPGRRCQCTEVXOIN-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80617445
N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80616879
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 82959675
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80616161
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616864) is N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CCC(C)N(CCOC)C(=O)c1nnc(NC)s1.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PGRRCQCTEVXOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-5-8(2)15(6-7-17-4)10(16)9-13-14-11(12-3)18-9/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).