N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide

C10H17N5O2S — CID 154089039

IUPACN-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1nnsc1NC(=O)N(C)C
InChIInChI=1S/C10H17N5O2S/c1-5-6(2)11-8(16)7-9(18-14-13-7)12-10(17)15(3)4/h6H,5H2,1-4H3,(H,11,16)(H,12,17)
InChIKeyWMESHVSYSHEZRQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.16
Rot. Bonds4

About N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide

N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide (PubChem CID 154089039) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
PubChem CID154089039
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1nnsc1NC(=O)N(C)C
InChIInChI=1S/C10H17N5O2S/c1-5-6(2)11-8(16)7-9(18-14-13-7)12-10(17)15(3)4/h6H,5H2,1-4H3,(H,11,16)(H,12,17)
InChIKeyWMESHVSYSHEZRQ-UHFFFAOYSA-N
XLogP1.16
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide (CID 154089039) is N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide is CCC(C)NC(=O)c1nnsc1NC(=O)N(C)C.
What is the InChIKey of N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
The InChIKey is WMESHVSYSHEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-5-6(2)11-8(16)7-9(18-14-13-7)12-10(17)15(3)4/h6H,5H2,1-4H3,(H,11,16)(H,12,17).
What are the key properties of N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide is sourced from PubChem (CID 154089039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).