N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C17H20ClN3OS — CID 110387146

IUPACN-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCC2)sc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H20ClN3OS/c1-11-13(18)6-5-7-14(11)20-17(22)16-12(2)19-15(23-16)10-21-8-3-4-9-21/h5-7H,3-4,8-10H2,1-2H3,(H,20,22)
InChIKeyADCBVQHOLBTVOY-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.26
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387146) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387146
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCC2)sc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H20ClN3OS/c1-11-13(18)6-5-7-14(11)20-17(22)16-12(2)19-15(23-16)10-21-8-3-4-9-21/h5-7H,3-4,8-10H2,1-2H3,(H,20,22)
InChIKeyADCBVQHOLBTVOY-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387401
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386650
methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 110387417
2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387104
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126
4-methyl-N-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387086
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387166

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110387146) is N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN2CCCC2)sc1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ADCBVQHOLBTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-11-13(18)6-5-7-14(11)20-17(22)16-12(2)19-15(23-16)10-21-8-3-4-9-21/h5-7H,3-4,8-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 4.26, 4 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)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).