4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide

C13H14BrN3OS — CID 55012077

IUPAC4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H14BrN3OS/c1-16(6-10-7-19-8-15-10)13(18)12-4-9(14)5-17(12)11-2-3-11/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyCYDDUBZVXSGKBG-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.31
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 55012077) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID55012077
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H14BrN3OS/c1-16(6-10-7-19-8-15-10)13(18)12-4-9(14)5-17(12)11-2-3-11/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyCYDDUBZVXSGKBG-UHFFFAOYSA-N
XLogP3.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide (CID 55012077) is 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide is CN(Cc1cscn1)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is CYDDUBZVXSGKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-16(6-10-7-19-8-15-10)13(18)12-4-9(14)5-17(12)11-2-3-11/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55012077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).