5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide

C10H16N4O2S2 — CID 18550644

IUPAC5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCCSc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C10H16N4O2S2/c1-4-5-17-9-6(7(11)15)8(18-13-9)12-10(16)14(2)3/h4-5H2,1-3H3,(H2,11,15)(H,12,16)
InChIKeyKTXCVYMMHAFUTM-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.84
Rot. Bonds5

About 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide

5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide (PubChem CID 18550644) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide
PubChem CID18550644
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCCSc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C10H16N4O2S2/c1-4-5-17-9-6(7(11)15)8(18-13-9)12-10(16)14(2)3/h4-5H2,1-3H3,(H2,11,15)(H,12,16)
InChIKeyKTXCVYMMHAFUTM-UHFFFAOYSA-N
XLogP1.84
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide (CID 18550644) is 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide is CCCSc1nsc(NC(=O)N(C)C)c1C(N)=O.
What is the InChIKey of 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide?
The InChIKey is KTXCVYMMHAFUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-4-5-17-9-6(7(11)15)8(18-13-9)12-10(16)14(2)3/h4-5H2,1-3H3,(H2,11,15)(H,12,16).
What are the key properties of 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide?
5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-3-propylsulfanyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 18550644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).