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

C9H16N4O2S — CID 80616879

IUPACN-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)C(C)C)s1
InChIInChI=1S/C9H16N4O2S/c1-6(2)13(4-5-14)8(15)7-11-12-9(10-3)16-7/h6,14H,4-5H2,1-3H3,(H,10,12)
InChIKeyMBKMWNAVFDOBTR-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.42
Rot. Bonds5

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

N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616879) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616879
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)C(C)C)s1
InChIInChI=1S/C9H16N4O2S/c1-6(2)13(4-5-14)8(15)7-11-12-9(10-3)16-7/h6,14H,4-5H2,1-3H3,(H,10,12)
InChIKeyMBKMWNAVFDOBTR-UHFFFAOYSA-N
XLogP0.42
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80616161
N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102870469
N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616864
N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615747
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 82959675
5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114114579
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696918
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 43573178
N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617062

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (CID 80616879) is N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(CCO)C(C)C)s1.
What is the InChIKey of N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MBKMWNAVFDOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6(2)13(4-5-14)8(15)7-11-12-9(10-3)16-7/h6,14H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).