N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide

C6H10N4OS — CID 53397288

IUPACN-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NCCN)s1
InChIInChI=1S/C6H10N4OS/c1-4-9-10-6(12-4)5(11)8-3-2-7/h2-3,7H2,1H3,(H,8,11)
InChIKeyJUALNFCYQDYXMB-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.46
Rot. Bonds3

About N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide

N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 53397288) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID53397288
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC NameN-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NCCN)s1
InChIInChI=1S/C6H10N4OS/c1-4-9-10-6(12-4)5(11)8-3-2-7/h2-3,7H2,1H3,(H,8,11)
InChIKeyJUALNFCYQDYXMB-UHFFFAOYSA-N
XLogP-0.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1,3,4-thiadiazole-2-carbohydrazide
CID 130690461
5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 130703712
N-(3-aminopropyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619306
N-[2-(3-bromophenoxy)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75505499
N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
CID 119384710
5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
CID 80616925
N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 83617532
5-methyl-N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327478
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 104765544
N-(4-amino-4-oxobutyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80624913
lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid
CID 175461334

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide (CID 53397288) is N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide is Cc1nnc(C(=O)NCCN)s1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JUALNFCYQDYXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-4-9-10-6(12-4)5(11)8-3-2-7/h2-3,7H2,1H3,(H,8,11).
What are the key properties of N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide?
N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 186.24 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 53397288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).