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

C15H16ClN3OS — CID 59580612

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(CC)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-4-10(3)14(20)19(5-2)15-12(16)18-13(21-15)11-7-6-8-17-9-11/h6-9H,3-5H2,1-2H3
InChIKeyQEMPFJHMADCPEY-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.18
Rot. Bonds5

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

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide (PubChem CID 59580612) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide
PubChem CID59580612
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(CC)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-4-10(3)14(20)19(5-2)15-12(16)18-13(21-15)11-7-6-8-17-9-11/h6-9H,3-5H2,1-2H3
InChIKeyQEMPFJHMADCPEY-UHFFFAOYSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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
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-ethyl-3-methylsulfinylpropanamide;ethane
CID 167458064
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-methylidenebutanamide
CID 89012334
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 59580833
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
CID 59580590
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide
CID 118859489
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
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide (CID 59580612) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide is C=C(CC)C(=O)N(CC)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide?
The InChIKey is QEMPFJHMADCPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-4-10(3)14(20)19(5-2)15-12(16)18-13(21-15)11-7-6-8-17-9-11/h6-9H,3-5H2,1-2H3.
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide has a molecular weight of 321.83 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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-2-methylidenebutanamide is sourced from PubChem (CID 59580612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).