N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C10H16N4O2S — CID 102870469

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)C2CCC2)s1
InChIInChI=1S/C10H16N4O2S/c1-11-10-13-12-8(17-10)9(16)14(5-6-15)7-3-2-4-7/h7,15H,2-6H2,1H3,(H,11,13)
InChIKeyQYKRNUGOGQPMII-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.57
Rot. Bonds5

About N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 102870469) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID102870469
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)C2CCC2)s1
InChIInChI=1S/C10H16N4O2S/c1-11-10-13-12-8(17-10)9(16)14(5-6-15)7-3-2-4-7/h7,15H,2-6H2,1H3,(H,11,13)
InChIKeyQYKRNUGOGQPMII-UHFFFAOYSA-N
XLogP0.57
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107486052
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107486060
N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 107486160
N-(2-hydroxyethyl)-5-(methylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 113965096
N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80614884
5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80614968
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80614969
N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615044
N-ethyl-N-(1-methoxypropan-2-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615053
5-(ethylamino)-N,N-bis(2-hydroxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615129
N,N-bis(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615130
N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80615140

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 102870469) is N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(CCO)C2CCC2)s1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QYKRNUGOGQPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-11-10-13-12-8(17-10)9(16)14(5-6-15)7-3-2-4-7/h7,15H,2-6H2,1H3,(H,11,13).
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 102870469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).