2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

C11H19N5O2S2 — CID 18101301

IUPAC2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C11H19N5O2S2/c1-6(7(17)13-8(18)12-5)19-10-16-15-9(20-10)14-11(2,3)4/h6H,1-5H3,(H,14,15)(H2,12,13,17,18)
InChIKeyZGZPZGNUBPIPJL-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.68
Rot. Bonds4

About 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 18101301) has the molecular formula C11H19N5O2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID18101301
Molecular FormulaC11H19N5O2S2
Molecular Weight317.44 g/mol
Exact Mass317.10
IUPAC Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C11H19N5O2S2/c1-6(7(17)13-8(18)12-5)19-10-16-15-9(20-10)14-11(2,3)4/h6H,1-5H3,(H,14,15)(H2,12,13,17,18)
InChIKeyZGZPZGNUBPIPJL-UHFFFAOYSA-N
XLogP1.68
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.68
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-(cyclopropylcarbamoyl)propanamide
CID 18123434
(2S)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 9101909
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7999866
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 4814966
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 18101322
(2S)-2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 41073533
N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 131207186
(2S)-N-(tert-butylcarbamoyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972615
N-(2-acetylphenyl)-2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 18101416
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide
CID 24520738
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one
CID 18101328
N-tert-butyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48924485

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (CID 18101301) is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Sc1nnc(NC(C)(C)C)s1.
What is the InChIKey of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is ZGZPZGNUBPIPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S2/c1-6(7(17)13-8(18)12-5)19-10-16-15-9(20-10)14-11(2,3)4/h6H,1-5H3,(H,14,15)(H2,12,13,17,18).
What are the key properties of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 317.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 18101301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).