(2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

C10H16N2O3S2 — CID 164641467

IUPAC(2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESCCCc1nc(CS(=O)(=O)[C@@H](C)C(N)=O)cs1
InChIInChI=1S/C10H16N2O3S2/c1-3-4-9-12-8(5-16-9)6-17(14,15)7(2)10(11)13/h5,7H,3-4,6H2,1-2H3,(H2,11,13)/t7-/m0/s1
InChIKeyVNKJGZPEJQMESS-ZETCQYMHSA-N
MW276.38 g/mol
LogP0.88
Rot. Bonds6

About (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

(2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (PubChem CID 164641467) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
PubChem CID164641467
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name(2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESCCCc1nc(CS(=O)(=O)[C@@H](C)C(N)=O)cs1
InChIInChI=1S/C10H16N2O3S2/c1-3-4-9-12-8(5-16-9)6-17(14,15)7(2)10(11)13/h5,7H,3-4,6H2,1-2H3,(H2,11,13)/t7-/m0/s1
InChIKeyVNKJGZPEJQMESS-ZETCQYMHSA-N
XLogP0.88
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The IUPAC name of (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (CID 164641467) is (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The canonical SMILES for (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is CCCc1nc(CS(=O)(=O)[C@@H](C)C(N)=O)cs1.
What is the InChIKey of (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The InChIKey is VNKJGZPEJQMESS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-3-4-9-12-8(5-16-9)6-17(14,15)7(2)10(11)13/h5,7H,3-4,6H2,1-2H3,(H2,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
(2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 164641467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).