N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide

C14H16ClN3O3S2 — CID 59580414

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide
SMILESCCN(C(=O)CCS(C)(=O)=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H16ClN3O3S2/c1-3-18(11(19)6-8-23(2,20)21)14-12(15)17-13(22-14)10-5-4-7-16-9-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyRPBFZGZNFDSXBT-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.65
Rot. Bonds6

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

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide (PubChem CID 59580414) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide
PubChem CID59580414
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide
SMILESCCN(C(=O)CCS(C)(=O)=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H16ClN3O3S2/c1-3-18(11(19)6-8-23(2,20)21)14-12(15)17-13(22-14)10-5-4-7-16-9-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyRPBFZGZNFDSXBT-UHFFFAOYSA-N
XLogP2.65
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide (CID 59580414) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide is CCN(C(=O)CCS(C)(=O)=O)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide?
The InChIKey is RPBFZGZNFDSXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c1-3-18(11(19)6-8-23(2,20)21)14-12(15)17-13(22-14)10-5-4-7-16-9-10/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfonylpropanamide has a molecular weight of 373.89 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylsulfonylpropanamide is sourced from PubChem (CID 59580414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).