2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide

C15H18BrN5O2S — CID 68582717

IUPAC2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3nc(C(N)=O)cs3)CC2)cc1Br
InChIInChI=1S/C15H18BrN5O2S/c1-8-10(16)6-11(18-8)14(23)19-9-2-4-21(5-3-9)15-20-12(7-24-15)13(17)22/h6-7,9,18H,2-5H2,1H3,(H2,17,22)(H,19,23)
InChIKeyOCLNLYMVZVPKCQ-UHFFFAOYSA-N
MW412.31 g/mol
LogP2.04
Rot. Bonds4

About 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide

2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 68582717) has the molecular formula C15H18BrN5O2S and a molecular weight of 412.31 g/mol. Its IUPAC name is 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID68582717
Molecular FormulaC15H18BrN5O2S
Molecular Weight412.31 g/mol
Exact Mass411.04
IUPAC Name2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3nc(C(N)=O)cs3)CC2)cc1Br
InChIInChI=1S/C15H18BrN5O2S/c1-8-10(16)6-11(18-8)14(23)19-9-2-4-21(5-3-9)15-20-12(7-24-15)13(17)22/h6-7,9,18H,2-5H2,1H3,(H2,17,22)(H,19,23)
InChIKeyOCLNLYMVZVPKCQ-UHFFFAOYSA-N
XLogP2.04
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 68579908
4-bromo-N-[1-[6-chloro-4-[2-(methylamino)-2-oxoethyl]sulfanyl-2-pyridinyl]piperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide
CID 86608303
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
S-[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] ethanethioate
CID 22242732
methyl 2-[[2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-chloropyridine-4-carbonyl]amino]acetate
CID 87505648
3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 68582659
ethyl 2-[4-[(4-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 59406914
[1-(4-carbamoyl-1,3-thiazol-2-yl)pyrrolidin-3-yl] methanesulfonate
CID 22242894
ethyl 2-[4-(6-bromohexanoylamino)piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 174209168
N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95051461
2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 131937981

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide (CID 68582717) is 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide is Cc1[nH]c(C(=O)NC2CCN(c3nc(C(N)=O)cs3)CC2)cc1Br.
What is the InChIKey of 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OCLNLYMVZVPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O2S/c1-8-10(16)6-11(18-8)14(23)19-9-2-4-21(5-3-9)15-20-12(7-24-15)13(17)22/h6-7,9,18H,2-5H2,1H3,(H2,17,22)(H,19,23).
What are the key properties of 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68582717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).