N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C13H23N5O2S2 — CID 7385395

IUPACN-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(NC(=O)NC(C)(C)C)s1
InChIInChI=1S/C13H23N5O2S2/c1-12(2,3)15-8(19)7-21-11-18-17-10(22-11)14-9(20)16-13(4,5)6/h7H2,1-6H3,(H,15,19)(H2,14,16,17,20)
InChIKeyDUKWYVJXNYPOJU-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.46
Rot. Bonds4

About N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7385395) has the molecular formula C13H23N5O2S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID7385395
Molecular FormulaC13H23N5O2S2
Molecular Weight345.49 g/mol
Exact Mass345.13
IUPAC NameN-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(NC(=O)NC(C)(C)C)s1
InChIInChI=1S/C13H23N5O2S2/c1-12(2,3)15-8(19)7-21-11-18-17-10(22-11)14-9(20)16-13(4,5)6/h7H2,1-6H3,(H,15,19)(H2,14,16,17,20)
InChIKeyDUKWYVJXNYPOJU-UHFFFAOYSA-N
XLogP2.46
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 1470506
2-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]thio}-N-(tert-butyl)acetamide
CID 802824
N-[1-(5-Ethylsulfanyl-[1,3,4]thiadiazol-2-ylamino)-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-acetamide
CID 1888413
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3220441
N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pivalamide
CID 6852049
1-(Tert-butyl)-3-(5-(methylthio)-1,3,4-thiadiazol-2-yl)urea
CID 7385320
1-(Tert-butyl)-3-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)urea
CID 7385325
Ethyl 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7385388
1-(Tert-butyl)-3-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)urea
CID 18578435
N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 48915052
2-[[5-(Tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide
CID 166399071
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 1470428

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 7385395) is N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nnc(NC(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is DUKWYVJXNYPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S2/c1-12(2,3)15-8(19)7-21-11-18-17-10(22-11)14-9(20)16-13(4,5)6/h7H2,1-6H3,(H,15,19)(H2,14,16,17,20).
What are the key properties of N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7385395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).