N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide

C14H17N3O2S — CID 59107995

IUPACN,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide
SMILESCC(C)=Nc1csc(C(=O)N(C)c2cc(C)on2)c1C
InChIInChI=1S/C14H17N3O2S/c1-8(2)15-11-7-20-13(10(11)4)14(18)17(5)12-6-9(3)19-16-12/h6-7H,1-5H3
InChIKeyYXKYYEPRRXLKIN-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.74
Rot. Bonds3

About N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide

N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide (PubChem CID 59107995) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide
PubChem CID59107995
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide
SMILESCC(C)=Nc1csc(C(=O)N(C)c2cc(C)on2)c1C
InChIInChI=1S/C14H17N3O2S/c1-8(2)15-11-7-20-13(10(11)4)14(18)17(5)12-6-9(3)19-16-12/h6-7H,1-5H3
InChIKeyYXKYYEPRRXLKIN-UHFFFAOYSA-N
XLogP3.74
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide (CID 59107995) is N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide is CC(C)=Nc1csc(C(=O)N(C)c2cc(C)on2)c1C.
What is the InChIKey of N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide?
The InChIKey is YXKYYEPRRXLKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(2)15-11-7-20-13(10(11)4)14(18)17(5)12-6-9(3)19-16-12/h6-7H,1-5H3.
What are the key properties of N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide?
N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(propan-2-ylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 59107995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).