4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide

C12H12BrN5OS — CID 167893260

IUPAC4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cncnc1N1CCCC1)c1scnc1Br
InChIInChI=1S/C12H12BrN5OS/c13-10-9(20-7-16-10)12(19)17-8-5-14-6-15-11(8)18-3-1-2-4-18/h5-7H,1-4H2,(H,17,19)
InChIKeySLDPCJIIVXGFMY-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide

4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 167893260) has the molecular formula C12H12BrN5OS and a molecular weight of 354.23 g/mol. Its IUPAC name is 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID167893260
Molecular FormulaC12H12BrN5OS
Molecular Weight354.23 g/mol
Exact Mass352.99
IUPAC Name4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cncnc1N1CCCC1)c1scnc1Br
InChIInChI=1S/C12H12BrN5OS/c13-10-9(20-7-16-10)12(19)17-8-5-14-6-15-11(8)18-3-1-2-4-18/h5-7H,1-4H2,(H,17,19)
InChIKeySLDPCJIIVXGFMY-UHFFFAOYSA-N
XLogP2.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trifluoro-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 86791411
5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47243449
3-[(3,4-dichlorophenyl)carbamoylamino]-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 167991124
2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 86791415
6-methoxy-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 139003442
4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide
CID 55706633
4-(5-bromopyrimidin-4-yl)-1,4-diazepane-1-carboxamide
CID 146090139
2-(2-methyl-3-nitrophenyl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 86815275
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
1-[4-(5-iodopyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 66320868
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 139003437
(2R)-2-[(4-bromo-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 130609381

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (CID 167893260) is 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is O=C(Nc1cncnc1N1CCCC1)c1scnc1Br.
What is the InChIKey of 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is SLDPCJIIVXGFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5OS/c13-10-9(20-7-16-10)12(19)17-8-5-14-6-15-11(8)18-3-1-2-4-18/h5-7H,1-4H2,(H,17,19).
What are the key properties of 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 354.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167893260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).