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

C17H19FN2OS — CID 59865687

IUPACN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)/N=c1\sc(C)c(C)n1CC1CC1
InChIInChI=1S/C17H19FN2OS/c1-10-4-7-14(18)8-15(10)16(21)19-17-20(9-13-5-6-13)11(2)12(3)22-17/h4,7-8,13H,5-6,9H2,1-3H3/b19-17-
InChIKeyRKAZXVZZAGOZOS-ZPHPHTNESA-N
MW318.42 g/mol
LogP3.77
Rot. Bonds3

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

N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide (PubChem CID 59865687) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide
PubChem CID59865687
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)/N=c1\sc(C)c(C)n1CC1CC1
InChIInChI=1S/C17H19FN2OS/c1-10-4-7-14(18)8-15(10)16(21)19-17-20(9-13-5-6-13)11(2)12(3)22-17/h4,7-8,13H,5-6,9H2,1-3H3/b19-17-
InChIKeyRKAZXVZZAGOZOS-ZPHPHTNESA-N
XLogP3.77
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.77
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]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide (CID 59865687) is N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)/N=c1\sc(C)c(C)n1CC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide?
The InChIKey is RKAZXVZZAGOZOS-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-10-4-7-14(18)8-15(10)16(21)19-17-20(9-13-5-6-13)11(2)12(3)22-17/h4,7-8,13H,5-6,9H2,1-3H3/b19-17-.
What are the key properties of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide?
N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-5-fluoro-2-methylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 3.77, 3 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]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 59865687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).