2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide

C14H15ClN2OS2 — CID 107034319

IUPAC2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(S)ccc2Cl)s1
InChIInChI=1S/C14H15ClN2OS2/c1-3-10-7-16-14(20-10)8(2)17-13(18)11-6-9(19)4-5-12(11)15/h4-8,19H,3H2,1-2H3,(H,17,18)
InChIKeyCGRGXKRGUWXTGH-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.14
Rot. Bonds4

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

2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide (PubChem CID 107034319) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
PubChem CID107034319
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(S)ccc2Cl)s1
InChIInChI=1S/C14H15ClN2OS2/c1-3-10-7-16-14(20-10)8(2)17-13(18)11-6-9(19)4-5-12(11)15/h4-8,19H,3H2,1-2H3,(H,17,18)
InChIKeyCGRGXKRGUWXTGH-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.14
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-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030816
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115681963
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 115740766
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 115679300
2-chloro-N-(1-pyridin-4-ylethyl)-5-sulfanylbenzamide
CID 107022770
3-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112696811
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 113387514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide (CID 107034319) is 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide is CCc1cnc(C(C)NC(=O)c2cc(S)ccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide?
The InChIKey is CGRGXKRGUWXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c1-3-10-7-16-14(20-10)8(2)17-13(18)11-6-9(19)4-5-12(11)15/h4-8,19H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide?
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide has a molecular weight of 326.87 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107034319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).