1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide

C23H27N5O2S — CID 78901673

IUPAC1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)n1-c1nccs1
InChIInChI=1S/C23H27N5O2S/c1-15-12-20(16(2)28(15)23-25-8-11-31-23)22(30)26-19-5-3-4-17(13-19)14-27-9-6-18(7-10-27)21(24)29/h3-5,8,11-13,18H,6-7,9-10,14H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeyOERVATVLSBXEHW-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.50
Rot. Bonds6

About 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 78901673) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID78901673
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)n1-c1nccs1
InChIInChI=1S/C23H27N5O2S/c1-15-12-20(16(2)28(15)23-25-8-11-31-23)22(30)26-19-5-3-4-17(13-19)14-27-9-6-18(7-10-27)21(24)29/h3-5,8,11-13,18H,6-7,9-10,14H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeyOERVATVLSBXEHW-UHFFFAOYSA-N
XLogP3.50
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900621
2,5-dimethyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900903
N-(1-benzylpiperidin-3-yl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78897706
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 87019841
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901581
2-(aminomethyl)-N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119853111
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
4-[[4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112842393
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768096
1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55960659

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 78901673) is 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)n1-c1nccs1.
What is the InChIKey of 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is OERVATVLSBXEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-15-12-20(16(2)28(15)23-25-8-11-31-23)22(30)26-19-5-3-4-17(13-19)14-27-9-6-18(7-10-27)21(24)29/h3-5,8,11-13,18H,6-7,9-10,14H2,1-2H3,(H2,24,29)(H,26,30).
What are the key properties of 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 78901673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).