(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C7H10N2OS2 — CID 7499825

IUPAC(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(S[C@@H](C)C(N)=O)n1
InChIInChI=1S/C7H10N2OS2/c1-4-3-11-7(9-4)12-5(2)6(8)10/h3,5H,1-2H3,(H2,8,10)/t5-/m0/s1
InChIKeyNXQBSWRBBKYYOM-YFKPBYRVSA-N
MW202.30 g/mol
LogP1.42
Rot. Bonds3

About (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 7499825) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID7499825
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(S[C@@H](C)C(N)=O)n1
InChIInChI=1S/C7H10N2OS2/c1-4-3-11-7(9-4)12-5(2)6(8)10/h3,5H,1-2H3,(H2,8,10)/t5-/m0/s1
InChIKeyNXQBSWRBBKYYOM-YFKPBYRVSA-N
XLogP1.42
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 40707204
(2S)-1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 51682202
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 115742698
N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43093599
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
N-(3-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43187503
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622345
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936856
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 64897892
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanimidamide
CID 60913514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 7499825) is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is Cc1csc(S[C@@H](C)C(N)=O)n1.
What is the InChIKey of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is NXQBSWRBBKYYOM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-4-3-11-7(9-4)12-5(2)6(8)10/h3,5H,1-2H3,(H2,8,10)/t5-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 202.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7499825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).