3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide

C14H24N4O3S — CID 134096886

IUPAC3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide
SMILESCCCCC(CC)c1nsc(NC(=O)N(C)OC)c1C(N)=O
InChIInChI=1S/C14H24N4O3S/c1-5-7-8-9(6-2)11-10(12(15)19)13(22-17-11)16-14(20)18(3)21-4/h9H,5-8H2,1-4H3,(H2,15,19)(H,16,20)
InChIKeySXOYJASXFBSKBZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.95
Rot. Bonds8

About 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide

3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 134096886) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide
PubChem CID134096886
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide
SMILESCCCCC(CC)c1nsc(NC(=O)N(C)OC)c1C(N)=O
InChIInChI=1S/C14H24N4O3S/c1-5-7-8-9(6-2)11-10(12(15)19)13(22-17-11)16-14(20)18(3)21-4/h9H,5-8H2,1-4H3,(H2,15,19)(H,16,20)
InChIKeySXOYJASXFBSKBZ-UHFFFAOYSA-N
XLogP2.95
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide (CID 134096886) is 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide is CCCCC(CC)c1nsc(NC(=O)N(C)OC)c1C(N)=O.
What is the InChIKey of 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is SXOYJASXFBSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-5-7-8-9(6-2)11-10(12(15)19)13(22-17-11)16-14(20)18(3)21-4/h9H,5-8H2,1-4H3,(H2,15,19)(H,16,20).
What are the key properties of 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide?
3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134096886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).