N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide

C10H16N4O2S — CID 2739123

IUPACN-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide
SMILESCC(C)N(C(=O)NC(=O)c1csnn1)C(C)C
InChIInChI=1S/C10H16N4O2S/c1-6(2)14(7(3)4)10(16)11-9(15)8-5-17-13-12-8/h5-7H,1-4H3,(H,11,15,16)
InChIKeyGSCPXSBTLZCTCL-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.51
Rot. Bonds3

About N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide

N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide (PubChem CID 2739123) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide
PubChem CID2739123
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide
SMILESCC(C)N(C(=O)NC(=O)c1csnn1)C(C)C
InChIInChI=1S/C10H16N4O2S/c1-6(2)14(7(3)4)10(16)11-9(15)8-5-17-13-12-8/h5-7H,1-4H3,(H,11,15,16)
InChIKeyGSCPXSBTLZCTCL-UHFFFAOYSA-N
XLogP1.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide (CID 2739123) is N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide is CC(C)N(C(=O)NC(=O)c1csnn1)C(C)C.
What is the InChIKey of N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide?
The InChIKey is GSCPXSBTLZCTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-6(2)14(7(3)4)10(16)11-9(15)8-5-17-13-12-8/h5-7H,1-4H3,(H,11,15,16).
What are the key properties of N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide?
N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(propan-2-yl)carbamoyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 2739123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).