N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide

C9H15N3O2S — CID 65210107

IUPACN-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)CCO
InChIInChI=1S/C9H15N3O2S/c1-3-4-7-8(15-11-10-7)9(14)12(2)5-6-13/h13H,3-6H2,1-2H3
InChIKeyHXBAJWCRDMDXQZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.55
Rot. Bonds5

About N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide

N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide (PubChem CID 65210107) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
PubChem CID65210107
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)CCO
InChIInChI=1S/C9H15N3O2S/c1-3-4-7-8(15-11-10-7)9(14)12(2)5-6-13/h13H,3-6H2,1-2H3
InChIKeyHXBAJWCRDMDXQZ-UHFFFAOYSA-N
XLogP0.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65204972
N-[(3-bromocyclobutyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 80672915
2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206041
N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65205282
4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide
CID 65209933
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
4-[propan-2-yl-(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 65205936
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 77059757
N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65206447
N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
CID 65206351
N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide
CID 65205515
4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79382432

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide (CID 65210107) is N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The InChIKey is HXBAJWCRDMDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-4-7-8(15-11-10-7)9(14)12(2)5-6-13/h13H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).