2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H21N5O2S2 — CID 46688565

IUPAC2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccnn2C(C)C)sc1CC(N)=O
InChIInChI=1S/C15H21N5O2S2/c1-8(2)20-13(5-6-17-20)19-14(22)10(4)23-15-18-9(3)11(24-15)7-12(16)21/h5-6,8,10H,7H2,1-4H3,(H2,16,21)(H,19,22)
InChIKeySCWDXURRCOEQBF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.38
Rot. Bonds7

About 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 46688565) has the molecular formula C15H21N5O2S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID46688565
Molecular FormulaC15H21N5O2S2
Molecular Weight367.50 g/mol
Exact Mass367.11
IUPAC Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccnn2C(C)C)sc1CC(N)=O
InChIInChI=1S/C15H21N5O2S2/c1-8(2)20-13(5-6-17-20)19-14(22)10(4)23-15-18-9(3)11(24-15)7-12(16)21/h5-6,8,10H,7H2,1-4H3,(H2,16,21)(H,19,22)
InChIKeySCWDXURRCOEQBF-UHFFFAOYSA-N
XLogP2.38
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 46688565) is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is Cc1nc(SC(C)C(=O)Nc2ccnn2C(C)C)sc1CC(N)=O.
What is the InChIKey of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is SCWDXURRCOEQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S2/c1-8(2)20-13(5-6-17-20)19-14(22)10(4)23-15-18-9(3)11(24-15)7-12(16)21/h5-6,8,10H,7H2,1-4H3,(H2,16,21)(H,19,22).
What are the key properties of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 367.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 46688565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).