N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide

C15H16BrN3OS — CID 3700307

IUPACN-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1csc(C2CCCN2)n1
InChIInChI=1S/C15H16BrN3OS/c16-11-5-3-10(4-6-11)8-18-14(20)13-9-21-15(19-13)12-2-1-7-17-12/h3-6,9,12,17H,1-2,7-8H2,(H,18,20)
InChIKeyKLRAUSDTPLBCSR-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide

N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 3700307) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID3700307
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1csc(C2CCCN2)n1
InChIInChI=1S/C15H16BrN3OS/c16-11-5-3-10(4-6-11)8-18-14(20)13-9-21-15(19-13)12-2-1-7-17-12/h3-6,9,12,17H,1-2,7-8H2,(H,18,20)
InChIKeyKLRAUSDTPLBCSR-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4254038
N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3357908
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3698377
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
2-(1-aminobutyl)-N-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3790285
(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
CID 138695861
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
2-acetamido-N-[(4-cyclohexyloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 60615148
N-benzyl-2-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
CID 23532324

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide (CID 3700307) is N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(Br)cc1)c1csc(C2CCCN2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KLRAUSDTPLBCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c16-11-5-3-10(4-6-11)8-18-14(20)13-9-21-15(19-13)12-2-1-7-17-12/h3-6,9,12,17H,1-2,7-8H2,(H,18,20).
What are the key properties of N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3700307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).