N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide

C15H18ClN3O2S2 — CID 59580590

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
SMILESCN(C(=O)C(C)(C)CS(C)=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H18ClN3O2S2/c1-15(2,9-23(4)21)14(20)19(3)13-11(16)18-12(22-13)10-6-5-7-17-8-10/h5-8H,9H2,1-4H3
InChIKeyLQMHTWQRFKGYFK-UHFFFAOYSA-N
MW371.92 g/mol
LogP3.23
Rot. Bonds5

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

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide (PubChem CID 59580590) has the molecular formula C15H18ClN3O2S2 and a molecular weight of 371.92 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
PubChem CID59580590
Molecular FormulaC15H18ClN3O2S2
Molecular Weight371.92 g/mol
Exact Mass371.05
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
SMILESCN(C(=O)C(C)(C)CS(C)=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H18ClN3O2S2/c1-15(2,9-23(4)21)14(20)19(3)13-11(16)18-12(22-13)10-6-5-7-17-8-10/h5-8H,9H2,1-4H3
InChIKeyLQMHTWQRFKGYFK-UHFFFAOYSA-N
XLogP3.23
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide with MolForge

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Related Compounds

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane
CID 167458064
N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 59580620
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
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-ethylprop-2-enamide
CID 59580463
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
CID 59580699
S-tert-butyl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamothioate
CID 118978080
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylbutanehydrazide
CID 118944679
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide
CID 118859489
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-[4-chloro-2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
CID 118032538

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide (CID 59580590) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide is CN(C(=O)C(C)(C)CS(C)=O)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide?
The InChIKey is LQMHTWQRFKGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S2/c1-15(2,9-23(4)21)14(20)19(3)13-11(16)18-12(22-13)10-6-5-7-17-8-10/h5-8H,9H2,1-4H3.
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide has a molecular weight of 371.92 g/mol, XLogP of 3.23, 5 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,2,2-trimethyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 59580590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).