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

C9H7BrN2OS2 — CID 130948300

IUPACN-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1cscn1
InChIInChI=1S/C9H7BrN2OS2/c10-8-1-6(3-15-8)2-11-9(13)7-4-14-5-12-7/h1,3-5H,2H2,(H,11,13)
InChIKeyBLFFUYYNNVPDSV-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.90
Rot. Bonds3

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

N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 130948300) has the molecular formula C9H7BrN2OS2 and a molecular weight of 303.21 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID130948300
Molecular FormulaC9H7BrN2OS2
Molecular Weight303.21 g/mol
Exact Mass301.92
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1cscn1
InChIInChI=1S/C9H7BrN2OS2/c10-8-1-6(3-15-8)2-11-9(13)7-4-14-5-12-7/h1,3-5H,2H2,(H,11,13)
InChIKeyBLFFUYYNNVPDSV-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
CID 47329110
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38637755
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
1-[(5-bromothiophen-3-yl)methyl]-3-(1,3-thiazole-2-carbonylamino)urea
CID 167941357
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110482303
N-[(4-carbamothioylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63022697
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 130948300) is N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1csc(Br)c1)c1cscn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BLFFUYYNNVPDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS2/c10-8-1-6(3-15-8)2-11-9(13)7-4-14-5-12-7/h1,3-5H,2H2,(H,11,13).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 303.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130948300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).