2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C14H17N3OS2 — CID 4798895

IUPAC2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)SCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H17N3OS2/c1-14(2,3)20-9-12(18)17-13-16-11(8-19-13)10-6-4-5-7-15-10/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyZJMJCWKQNXKANV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.68
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4798895) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4798895
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)SCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H17N3OS2/c1-14(2,3)20-9-12(18)17-13-16-11(8-19-13)10-6-4-5-7-15-10/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyZJMJCWKQNXKANV-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 122143857
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
2-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 52898485
2-(4-nitrophenyl)sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 26203124
3-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 41164524
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2-(4-methylindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 53370994
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 32979848

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 4798895) is 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)(C)SCC(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZJMJCWKQNXKANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-14(2,3)20-9-12(18)17-13-16-11(8-19-13)10-6-4-5-7-15-10/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4798895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).