N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C15H20N4O2S3 — CID 3220504

IUPACN-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)N(C(=O)CSc1nnc(NC(=O)c2cccs2)s1)C(C)C
InChIInChI=1S/C15H20N4O2S3/c1-9(2)19(10(3)4)12(20)8-23-15-18-17-14(24-15)16-13(21)11-6-5-7-22-11/h5-7,9-10H,8H2,1-4H3,(H,16,17,21)
InChIKeyUYRACWRLUKTCEO-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.59
Rot. Bonds7

About N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 3220504) has the molecular formula C15H20N4O2S3 and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID3220504
Molecular FormulaC15H20N4O2S3
Molecular Weight384.55 g/mol
Exact Mass384.07
IUPAC NameN-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)N(C(=O)CSc1nnc(NC(=O)c2cccs2)s1)C(C)C
InChIInChI=1S/C15H20N4O2S3/c1-9(2)19(10(3)4)12(20)8-23-15-18-17-14(24-15)16-13(21)11-6-5-7-22-11/h5-7,9-10H,8H2,1-4H3,(H,16,17,21)
InChIKeyUYRACWRLUKTCEO-UHFFFAOYSA-N
XLogP3.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 3220504) is N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is CC(C)N(C(=O)CSc1nnc(NC(=O)c2cccs2)s1)C(C)C.
What is the InChIKey of N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is UYRACWRLUKTCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S3/c1-9(2)19(10(3)4)12(20)8-23-15-18-17-14(24-15)16-13(21)11-6-5-7-22-11/h5-7,9-10H,8H2,1-4H3,(H,16,17,21).
What are the key properties of N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3220504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).