4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide

C10H12N4OS2 — CID 37156613

IUPAC4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1nc(C)cs1
InChIInChI=1S/C10H12N4OS2/c1-3-7-9(17-14-13-7)10(15)11-4-8-12-6(2)5-16-8/h5H,3-4H2,1-2H3,(H,11,15)
InChIKeyRTNNYKCOEMOZMW-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.80
Rot. Bonds4

About 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide

4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 37156613) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
PubChem CID37156613
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1nc(C)cs1
InChIInChI=1S/C10H12N4OS2/c1-3-7-9(17-14-13-7)10(15)11-4-8-12-6(2)5-16-8/h5H,3-4H2,1-2H3,(H,11,15)
InChIKeyRTNNYKCOEMOZMW-UHFFFAOYSA-N
XLogP1.80
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381029
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 25480153
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 47138313
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
4-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 35936393
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 47369409
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide (CID 37156613) is 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1nc(C)cs1.
What is the InChIKey of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is RTNNYKCOEMOZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-3-7-9(17-14-13-7)10(15)11-4-8-12-6(2)5-16-8/h5H,3-4H2,1-2H3,(H,11,15).
What are the key properties of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 268.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 37156613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).