N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C19H21ClN4O2S — CID 170721628

IUPACN-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)Nc3ccccc3Cl)c(CN3CCC(O)CC3)c2s1
InChIInChI=1S/C19H21ClN4O2S/c1-11-21-18-17(27-11)13(10-24-8-6-12(25)7-9-24)16(23-18)19(26)22-15-5-3-2-4-14(15)20/h2-5,12,23,25H,6-10H2,1H3,(H,22,26)
InChIKeyAVRGMAODFSVCQH-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.80
Rot. Bonds4

About N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 170721628) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID170721628
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC NameN-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)Nc3ccccc3Cl)c(CN3CCC(O)CC3)c2s1
InChIInChI=1S/C19H21ClN4O2S/c1-11-21-18-17(27-11)13(10-24-8-6-12(25)7-9-24)16(23-18)19(26)22-15-5-3-2-4-14(15)20/h2-5,12,23,25H,6-10H2,1H3,(H,22,26)
InChIKeyAVRGMAODFSVCQH-UHFFFAOYSA-N
XLogP3.80
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721645
N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721717
N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721683
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 26410836
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75497361
N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139818
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387146
2-(cyclohexylmethylamino)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 143665693
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923575
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 53284671

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 170721628) is N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2[nH]c(C(=O)Nc3ccccc3Cl)c(CN3CCC(O)CC3)c2s1.
What is the InChIKey of N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is AVRGMAODFSVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-11-21-18-17(27-11)13(10-24-8-6-12(25)7-9-24)16(23-18)19(26)22-15-5-3-2-4-14(15)20/h2-5,12,23,25H,6-10H2,1H3,(H,22,26).
What are the key properties of N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 404.92 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 170721628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).