(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C11H18N2OS2 — CID 40707204

IUPAC(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(S[C@H](C)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H18N2OS2/c1-7-6-15-10(12-7)16-8(2)9(14)13-11(3,4)5/h6,8H,1-5H3,(H,13,14)/t8-/m1/s1
InChIKeyUAXLFZKTEKBGFS-MRVPVSSYSA-N
MW258.41 g/mol
LogP2.85
Rot. Bonds3

About (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 40707204) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID40707204
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(S[C@H](C)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H18N2OS2/c1-7-6-15-10(12-7)16-8(2)9(14)13-11(3,4)5/h6,8H,1-5H3,(H,13,14)/t8-/m1/s1
InChIKeyUAXLFZKTEKBGFS-MRVPVSSYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622345
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936856
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40705970
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499741
2-[2-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60721401
N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43093599
(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2532586

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 40707204) is (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is Cc1csc(S[C@H](C)C(=O)NC(C)(C)C)n1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is UAXLFZKTEKBGFS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-7-6-15-10(12-7)16-8(2)9(14)13-11(3,4)5/h6,8H,1-5H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 258.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 40707204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).