2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide

C10H12N4OS2 — CID 47443739

IUPAC2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nnc(C(C)C)s2)cs1
InChIInChI=1S/C10H12N4OS2/c1-5(2)9-13-14-10(17-9)12-8(15)7-4-16-6(3)11-7/h4-5H,1-3H3,(H,12,14,15)
InChIKeyONFJQOBBODHTQG-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.68
Rot. Bonds3

About 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide

2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 47443739) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID47443739
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nnc(C(C)C)s2)cs1
InChIInChI=1S/C10H12N4OS2/c1-5(2)9-13-14-10(17-9)12-8(15)7-4-16-6(3)11-7/h4-5H,1-3H3,(H,12,14,15)
InChIKeyONFJQOBBODHTQG-UHFFFAOYSA-N
XLogP2.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47444190
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47233955
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 53368602
3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 166205739
3,5-dichloro-4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17013696
5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18093759
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 47443739) is 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2nnc(C(C)C)s2)cs1.
What is the InChIKey of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ONFJQOBBODHTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-5(2)9-13-14-10(17-9)12-8(15)7-4-16-6(3)11-7/h4-5H,1-3H3,(H,12,14,15).
What are the key properties of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47443739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).