N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane

C14H18ClN3OS — CID 143940637

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
SMILESCC.Cc1nc(CC(=O)NCc2ccc(Cl)nc2)cs1
InChIInChI=1S/C12H12ClN3OS.C2H6/c1-8-16-10(7-18-8)4-12(17)15-6-9-2-3-11(13)14-5-9;1-2/h2-3,5,7H,4,6H2,1H3,(H,15,17);1-2H3
InChIKeyIZKCIFLOJMEYKU-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.39
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane

N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane (PubChem CID 143940637) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
PubChem CID143940637
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
SMILESCC.Cc1nc(CC(=O)NCc2ccc(Cl)nc2)cs1
InChIInChI=1S/C12H12ClN3OS.C2H6/c1-8-16-10(7-18-8)4-12(17)15-6-9-2-3-11(13)14-5-9;1-2/h2-3,5,7H,4,6H2,1H3,(H,15,17);1-2H3
InChIKeyIZKCIFLOJMEYKU-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9124350
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70744303
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 24533421
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid
CID 43665653
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 87005232

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane (CID 143940637) is N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane is CC.Cc1nc(CC(=O)NCc2ccc(Cl)nc2)cs1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
The InChIKey is IZKCIFLOJMEYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS.C2H6/c1-8-16-10(7-18-8)4-12(17)15-6-9-2-3-11(13)14-5-9;1-2/h2-3,5,7H,4,6H2,1H3,(H,15,17);1-2H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane has a molecular weight of 311.84 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane is sourced from PubChem (CID 143940637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).