5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide

C12H18N4O3S — CID 57163248

IUPAC5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide
SMILESCC=C(CC)Oc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C12H18N4O3S/c1-5-7(6-2)19-10-8(9(13)17)11(20-15-10)14-12(18)16(3)4/h5H,6H2,1-4H3,(H2,13,17)(H,14,18)
InChIKeyISCJWAPHPZKMCC-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.03
Rot. Bonds5

About 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide

5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide (PubChem CID 57163248) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide
PubChem CID57163248
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide
SMILESCC=C(CC)Oc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C12H18N4O3S/c1-5-7(6-2)19-10-8(9(13)17)11(20-15-10)14-12(18)16(3)4/h5H,6H2,1-4H3,(H2,13,17)(H,14,18)
InChIKeyISCJWAPHPZKMCC-UHFFFAOYSA-N
XLogP2.03
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide (CID 57163248) is 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide is CC=C(CC)Oc1nsc(NC(=O)N(C)C)c1C(N)=O.
What is the InChIKey of 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide?
The InChIKey is ISCJWAPHPZKMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-5-7(6-2)19-10-8(9(13)17)11(20-15-10)14-12(18)16(3)4/h5H,6H2,1-4H3,(H2,13,17)(H,14,18).
What are the key properties of 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide?
5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-3-pent-2-en-3-yloxy-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 57163248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).