N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

C10H9BrN2OS2 — CID 47443992

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Br)s2)cs1
InChIInChI=1S/C10H9BrN2OS2/c1-6-13-8(5-15-6)10(14)12-4-7-2-3-9(11)16-7/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyIJNHMHKKWMSGRQ-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.21
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 47443992) has the molecular formula C10H9BrN2OS2 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID47443992
Molecular FormulaC10H9BrN2OS2
Molecular Weight317.23 g/mol
Exact Mass315.93
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Br)s2)cs1
InChIInChI=1S/C10H9BrN2OS2/c1-6-13-8(5-15-6)10(14)12-4-7-2-3-9(11)16-7/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyIJNHMHKKWMSGRQ-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932
2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 33295313
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103401936
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115117022
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 47443992) is N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2ccc(Br)s2)cs1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is IJNHMHKKWMSGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS2/c1-6-13-8(5-15-6)10(14)12-4-7-2-3-9(11)16-7/h2-3,5H,4H2,1H3,(H,12,14).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 317.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47443992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).