4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide

C10H15N3OS — CID 44515183

IUPAC4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide
SMILESCC(C)=NNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C10H15N3OS/c1-6(2)8-5-15-10(11-8)9(14)13-12-7(3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyRGQPCKPCRNPSLN-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.39
Rot. Bonds3

About 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide

4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide (PubChem CID 44515183) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide
PubChem CID44515183
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide
SMILESCC(C)=NNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C10H15N3OS/c1-6(2)8-5-15-10(11-8)9(14)13-12-7(3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyRGQPCKPCRNPSLN-UHFFFAOYSA-N
XLogP2.39
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide (CID 44515183) is 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide is CC(C)=NNC(=O)c1nc(C(C)C)cs1.
What is the InChIKey of 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide?
The InChIKey is RGQPCKPCRNPSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(2)8-5-15-10(11-8)9(14)13-12-7(3)4/h5-6H,1-4H3,(H,13,14).
What are the key properties of 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide?
4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(propan-2-ylideneamino)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44515183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).