N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide

C14H22N2OS — CID 131862998

IUPACN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide
SMILESCc1s/c(=N\C(=O)CC(C)C)n(CC2CC2)c1C
InChIInChI=1S/C14H22N2OS/c1-9(2)7-13(17)15-14-16(8-12-5-6-12)10(3)11(4)18-14/h9,12H,5-8H2,1-4H3/b15-14-
InChIKeyRJEORPRFAHIMGI-PFONDFGASA-N
MW266.41 g/mol
LogP3.05
Rot. Bonds4

About N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide

N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide (PubChem CID 131862998) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide
PubChem CID131862998
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide
SMILESCc1s/c(=N\C(=O)CC(C)C)n(CC2CC2)c1C
InChIInChI=1S/C14H22N2OS/c1-9(2)7-13(17)15-14-16(8-12-5-6-12)10(3)11(4)18-14/h9,12H,5-8H2,1-4H3/b15-14-
InChIKeyRJEORPRFAHIMGI-PFONDFGASA-N
XLogP3.05
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide (CID 131862998) is N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide is Cc1s/c(=N\C(=O)CC(C)C)n(CC2CC2)c1C.
What is the InChIKey of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide?
The InChIKey is RJEORPRFAHIMGI-PFONDFGASA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(2)7-13(17)15-14-16(8-12-5-6-12)10(3)11(4)18-14/h9,12H,5-8H2,1-4H3/b15-14-.
What are the key properties of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide?
N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide has a molecular weight of 266.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-methylbutanamide is sourced from PubChem (CID 131862998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).