N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide

C14H15FN2OS2 — CID 107025589

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(S)ccc2F)s1
InChIInChI=1S/C14H15FN2OS2/c1-7-13(20-9(3)16-7)8(2)17-14(18)11-6-10(19)4-5-12(11)15/h4-6,8,19H,1-3H3,(H,17,18)
InChIKeyQDVJEWNTFHAJAM-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.68
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide (PubChem CID 107025589) has the molecular formula C14H15FN2OS2 and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
PubChem CID107025589
Molecular FormulaC14H15FN2OS2
Molecular Weight310.42 g/mol
Exact Mass310.06
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(S)ccc2F)s1
InChIInChI=1S/C14H15FN2OS2/c1-7-13(20-9(3)16-7)8(2)17-14(18)11-6-10(19)4-5-12(11)15/h4-6,8,19H,1-3H3,(H,17,18)
InChIKeyQDVJEWNTFHAJAM-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-methylbenzamide
CID 62512190
5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide
CID 61192271
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107025593
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107025586
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide
CID 107028724
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide
CID 95092297
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 51121860

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide (CID 107025589) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide is Cc1nc(C)c(C(C)NC(=O)c2cc(S)ccc2F)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide?
The InChIKey is QDVJEWNTFHAJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS2/c1-7-13(20-9(3)16-7)8(2)17-14(18)11-6-10(19)4-5-12(11)15/h4-6,8,19H,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107025589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).