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

C14H14N6OS2 — CID 131920068

IUPAC4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C14H14N6OS2/c1-8(2)11-12(23-20-19-11)13(21)17-5-9-7-22-14(18-9)10-6-15-3-4-16-10/h3-4,6-8H,5H2,1-2H3,(H,17,21)
InChIKeyVJEDRBDJQDHTGH-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.51
Rot. Bonds5

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

4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 131920068) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID131920068
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC Name4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C14H14N6OS2/c1-8(2)11-12(23-20-19-11)13(21)17-5-9-7-22-14(18-9)10-6-15-3-4-16-10/h3-4,6-8H,5H2,1-2H3,(H,17,21)
InChIKeyVJEDRBDJQDHTGH-UHFFFAOYSA-N
XLogP2.51
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131893307
3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 131945154
6-tert-butyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 91779297
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97145040
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 131920068) is 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCc1csc(-c2cnccn2)n1.
What is the InChIKey of 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is VJEDRBDJQDHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-8(2)11-12(23-20-19-11)13(21)17-5-9-7-22-14(18-9)10-6-15-3-4-16-10/h3-4,6-8H,5H2,1-2H3,(H,17,21).
What are the key properties of 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 131920068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).