N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide

C10H17N5O2S — CID 134110030

IUPACN-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
SMILESCCCCNC(=O)c1nnsc1NC(=O)N(C)C
InChIInChI=1S/C10H17N5O2S/c1-4-5-6-11-8(16)7-9(18-14-13-7)12-10(17)15(2)3/h4-6H2,1-3H3,(H,11,16)(H,12,17)
InChIKeyBPPGRHHTLDNXCU-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.16
Rot. Bonds5

About N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide

N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide (PubChem CID 134110030) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
PubChem CID134110030
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
SMILESCCCCNC(=O)c1nnsc1NC(=O)N(C)C
InChIInChI=1S/C10H17N5O2S/c1-4-5-6-11-8(16)7-9(18-14-13-7)12-10(17)15(2)3/h4-6H2,1-3H3,(H,11,16)(H,12,17)
InChIKeyBPPGRHHTLDNXCU-UHFFFAOYSA-N
XLogP1.16
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
The IUPAC name of N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide (CID 134110030) is N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
The canonical SMILES for N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide is CCCCNC(=O)c1nnsc1NC(=O)N(C)C.
What is the InChIKey of N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
The InChIKey is BPPGRHHTLDNXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-4-5-6-11-8(16)7-9(18-14-13-7)12-10(17)15(2)3/h4-6H2,1-3H3,(H,11,16)(H,12,17).
What are the key properties of N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide?
N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide is sourced from PubChem (CID 134110030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).