4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide

C14H18BrN3OS — CID 61480650

IUPAC4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C14H18BrN3OS/c1-4-5-18-7-10(15)6-12(18)13(19)17-14-16-11(8-20-14)9(2)3/h6-9H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyAGGNBIOUADYCFN-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.49
Rot. Bonds5

About 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 61480650) has the molecular formula C14H18BrN3OS and a molecular weight of 356.29 g/mol. Its IUPAC name is 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID61480650
Molecular FormulaC14H18BrN3OS
Molecular Weight356.29 g/mol
Exact Mass355.04
IUPAC Name4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C14H18BrN3OS/c1-4-5-18-7-10(15)6-12(18)13(19)17-14-16-11(8-20-14)9(2)3/h6-9H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyAGGNBIOUADYCFN-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641258
4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479453
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 54877600
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60783539
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374
4-amino-1-propan-2-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479491
4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-propylpyrrole-2-carboxamide
CID 54950997
4-bromo-N-(5-nitro-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60954776
4-bromo-N-(4-methylpent-1-yn-3-yl)-1-propylpyrrole-2-carboxamide
CID 114202530
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide (CID 61480650) is 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is AGGNBIOUADYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3OS/c1-4-5-18-7-10(15)6-12(18)13(19)17-14-16-11(8-20-14)9(2)3/h6-9H,4-5H2,1-3H3,(H,16,17,19).
What are the key properties of 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 356.29 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61480650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).