3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

C13H15Cl2N5OS — CID 68582659

IUPAC3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3nncs3)CC2)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl2N5OS/c1-7-9(14)10(15)11(17-7)12(21)18-8-2-4-20(5-3-8)13-19-16-6-22-13/h6,8,17H,2-5H2,1H3,(H,18,21)
InChIKeyGLXQCZWYNDEJNJ-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.88
Rot. Bonds3

About 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 68582659) has the molecular formula C13H15Cl2N5OS and a molecular weight of 360.27 g/mol. Its IUPAC name is 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID68582659
Molecular FormulaC13H15Cl2N5OS
Molecular Weight360.27 g/mol
Exact Mass359.04
IUPAC Name3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3nncs3)CC2)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl2N5OS/c1-7-9(14)10(15)11(17-7)12(21)18-8-2-4-20(5-3-8)13-19-16-6-22-13/h6,8,17H,2-5H2,1H3,(H,18,21)
InChIKeyGLXQCZWYNDEJNJ-UHFFFAOYSA-N
XLogP2.88
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 11463807
ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 68579908
3,4-dichloro-N-[1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide
CID 68580204
N-(1-carbamoylsulfonylpiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
CID 141277841
3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 141113998
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 163352586
methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]thiophene-2-carboxylate
CID 68580137
3-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]benzoic acid
CID 11315436
4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-N-methoxypyridine-2-carboxamide
CID 86608342
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]azepan-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 24782995
2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide
CID 87801635
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-4-(1,3-dimethoxypropan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 143277529

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 68582659) is 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC2CCN(c3nncs3)CC2)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is GLXQCZWYNDEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5OS/c1-7-9(14)10(15)11(17-7)12(21)18-8-2-4-20(5-3-8)13-19-16-6-22-13/h6,8,17H,2-5H2,1H3,(H,18,21).
What are the key properties of 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 360.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 68582659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).