N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane

C22H40ClN3O2S2 — CID 167458064

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane
SMILESCC.CC.CC.CC.CCN(C(=O)CCS(C)=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H16ClN3O2S2.4C2H6/c1-3-18(11(19)6-8-22(2)20)14-12(15)17-13(21-14)10-5-4-7-16-9-10;4*1-2/h4-5,7,9H,3,6,8H2,1-2H3;4*1-2H3
InChIKeyRGWPUDDRFSKQOS-UHFFFAOYSA-N
MW478.17 g/mol
LogP7.08
Rot. Bonds6

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane (PubChem CID 167458064) has the molecular formula C22H40ClN3O2S2 and a molecular weight of 478.17 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane
PubChem CID167458064
Molecular FormulaC22H40ClN3O2S2
Molecular Weight478.17 g/mol
Exact Mass477.23
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane
SMILESCC.CC.CC.CC.CCN(C(=O)CCS(C)=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H16ClN3O2S2.4C2H6/c1-3-18(11(19)6-8-22(2)20)14-12(15)17-13(21-14)10-5-4-7-16-9-10;4*1-2/h4-5,7,9H,3,6,8H2,1-2H3;4*1-2H3
InChIKeyRGWPUDDRFSKQOS-UHFFFAOYSA-N
XLogP7.08
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.17
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
CID 59580699
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide
CID 59580463
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide
CID 59580612
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
CID 59580590
2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide
CID 59580579
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide
CID 118859489
N-[4-chloro-2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
CID 118032538
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylbutanehydrazide
CID 118944679
tert-butyl N-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate
CID 59580716

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane (CID 167458064) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane is CC.CC.CC.CC.CCN(C(=O)CCS(C)=O)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane?
The InChIKey is RGWPUDDRFSKQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2.4C2H6/c1-3-18(11(19)6-8-22(2)20)14-12(15)17-13(21-14)10-5-4-7-16-9-10;4*1-2/h4-5,7,9H,3,6,8H2,1-2H3;4*1-2H3.
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane has a molecular weight of 478.17 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane is sourced from PubChem (CID 167458064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).