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

C16H18ClN3OS — CID 110386648

IUPACN-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(CN2CCCC2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3OS/c17-12-4-3-5-13(8-12)18-15(21)9-14-11-22-16(19-14)10-20-6-1-2-7-20/h3-5,8,11H,1-2,6-7,9-10H2,(H,18,21)
InChIKeyOBGFRKFGJQYXNU-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.57
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386648) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110386648
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC NameN-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(CN2CCCC2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3OS/c17-12-4-3-5-13(8-12)18-15(21)9-14-11-22-16(19-14)10-20-6-1-2-7-20/h3-5,8,11H,1-2,6-7,9-10H2,(H,18,21)
InChIKeyOBGFRKFGJQYXNU-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386888
N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386650
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386851
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591
N-(3-chlorophenyl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387401
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580
N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386823
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 110386648) is N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(CN2CCCC2)n1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is OBGFRKFGJQYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-12-4-3-5-13(8-12)18-15(21)9-14-11-22-16(19-14)10-20-6-1-2-7-20/h3-5,8,11H,1-2,6-7,9-10H2,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).