(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide

C8H13N5O2S2 — CID 29378697

IUPAC(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
SMILESCC(C)[C@H](Sc1nnc(N)s1)C(=O)NC(N)=O
InChIInChI=1S/C8H13N5O2S2/c1-3(2)4(5(14)11-6(9)15)16-8-13-12-7(10)17-8/h3-4H,1-2H3,(H2,10,12)(H3,9,11,14,15)/t4-/m0/s1
InChIKeyFRDDNTWPPXPQHN-BYPYZUCNSA-N
MW275.36 g/mol
LogP0.43
Rot. Bonds4

About (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide (PubChem CID 29378697) has the molecular formula C8H13N5O2S2 and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
PubChem CID29378697
Molecular FormulaC8H13N5O2S2
Molecular Weight275.36 g/mol
Exact Mass275.05
IUPAC Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
SMILESCC(C)[C@H](Sc1nnc(N)s1)C(=O)NC(N)=O
InChIInChI=1S/C8H13N5O2S2/c1-3(2)4(5(14)11-6(9)15)16-8-13-12-7(10)17-8/h3-4H,1-2H3,(H2,10,12)(H3,9,11,14,15)/t4-/m0/s1
InChIKeyFRDDNTWPPXPQHN-BYPYZUCNSA-N
XLogP0.43
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 18101322
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 17404735
(2S)-N-carbamoyl-2-[[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methylbutanamide
CID 8675563
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 45134919
(2R)-N-carbamoyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7820512
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylbutyl)propanamide
CID 43112283
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide
CID 63580902
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 51480183
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
CID 8632160
(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 27046259
N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
CID 42900284
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7760118

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide?
The IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide (CID 29378697) is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide is CC(C)[C@H](Sc1nnc(N)s1)C(=O)NC(N)=O.
What is the InChIKey of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide?
The InChIKey is FRDDNTWPPXPQHN-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H13N5O2S2/c1-3(2)4(5(14)11-6(9)15)16-8-13-12-7(10)17-8/h3-4H,1-2H3,(H2,10,12)(H3,9,11,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide?
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide has a molecular weight of 275.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide is sourced from PubChem (CID 29378697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).