(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C10H17N3OS2 — CID 40705970

IUPAC(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(S[C@H](C)C(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H17N3OS2/c1-6(8(14)11-10(3,4)5)15-9-13-12-7(2)16-9/h6H,1-5H3,(H,11,14)/t6-/m1/s1
InChIKeyPLTATJSJAFFXCF-ZCFIWIBFSA-N
MW259.40 g/mol
LogP2.24
Rot. Bonds3

About (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 40705970) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID40705970
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(S[C@H](C)C(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H17N3OS2/c1-6(8(14)11-10(3,4)5)15-9-13-12-7(2)16-9/h6H,1-5H3,(H,11,14)/t6-/m1/s1
InChIKeyPLTATJSJAFFXCF-ZCFIWIBFSA-N
XLogP2.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23942509
N-tert-butyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46672263
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95902307
N-tert-butyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48924485
(2S)-N-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40678669
(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 40707204
N-(1-adamantyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 51141774
ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 3170095
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
(2R)-N-tert-butyl-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8852308
(2S)-N-tert-butyl-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9310372
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2448793

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 40705970) is (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(S[C@H](C)C(=O)NC(C)(C)C)s1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is PLTATJSJAFFXCF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-6(8(14)11-10(3,4)5)15-9-13-12-7(2)16-9/h6H,1-5H3,(H,11,14)/t6-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 259.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 40705970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).