N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C14H16ClN3OS — CID 34115692

IUPACN-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)Cc2ccccc2Cl)cs1
InChIInChI=1S/C14H16ClN3OS/c1-10(19)16-14-17-12(9-20-14)8-18(2)7-11-5-3-4-6-13(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyBMMNJOSJQQPIEM-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.39
Rot. Bonds5

About N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 34115692) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID34115692
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)Cc2ccccc2Cl)cs1
InChIInChI=1S/C14H16ClN3OS/c1-10(19)16-14-17-12(9-20-14)8-18(2)7-11-5-3-4-6-13(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyBMMNJOSJQQPIEM-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 134001362
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909258
N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62014404
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N-[4-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78825660
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79243670
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
CID 154216694
N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111825584

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 34115692) is N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN(C)Cc2ccccc2Cl)cs1.
What is the InChIKey of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BMMNJOSJQQPIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-10(19)16-14-17-12(9-20-14)8-18(2)7-11-5-3-4-6-13(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 309.82 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 34115692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).