N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

C17H20ClN3OS — CID 110386650

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1csc(CN2CCCC2)n1
InChIInChI=1S/C17H20ClN3OS/c1-12-14(18)5-4-6-15(12)20-16(22)9-13-11-23-17(19-13)10-21-7-2-3-8-21/h4-6,11H,2-3,7-10H2,1H3,(H,20,22)
InChIKeyALXPVADGTZFEIM-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.88
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386650) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110386650
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1csc(CN2CCCC2)n1
InChIInChI=1S/C17H20ClN3OS/c1-12-14(18)5-4-6-15(12)20-16(22)9-13-11-23-17(19-13)10-21-7-2-3-8-21/h4-6,11H,2-3,7-10H2,1H3,(H,20,22)
InChIKeyALXPVADGTZFEIM-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386648
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387146
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386851
N-[2-(3-chlorophenyl)ethyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386888
N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386823
N-(3-chloro-2-methylphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841739
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606
N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386565

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 110386650) is N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cc1csc(CN2CCCC2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ALXPVADGTZFEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-12-14(18)5-4-6-15(12)20-16(22)9-13-11-23-17(19-13)10-21-7-2-3-8-21/h4-6,11H,2-3,7-10H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 349.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).