N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide

C12H14N4O2S2 — CID 65205330

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2snnc2C(C)(C)C)n1
InChIInChI=1S/C12H14N4O2S2/c1-6(17)7-5-19-11(13-7)14-10(18)8-9(12(2,3)4)15-16-20-8/h5H,1-4H3,(H,13,14,18)
InChIKeyBJHPILHMSSFWRF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.75
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 65205330) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID65205330
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2snnc2C(C)(C)C)n1
InChIInChI=1S/C12H14N4O2S2/c1-6(17)7-5-19-11(13-7)14-10(18)8-9(12(2,3)4)15-16-20-8/h5H,1-4H3,(H,13,14,18)
InChIKeyBJHPILHMSSFWRF-UHFFFAOYSA-N
XLogP2.75
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 77059521
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 20719818
N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619701
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
CID 114315653
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65204891
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide (CID 65205330) is N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide is CC(=O)c1csc(NC(=O)c2snnc2C(C)(C)C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is BJHPILHMSSFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-6(17)7-5-19-11(13-7)14-10(18)8-9(12(2,3)4)15-16-20-8/h5H,1-4H3,(H,13,14,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).