N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

C14H15BrN2OS — CID 47096995

IUPACN-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C14H15BrN2OS/c1-9-13(19-10(2)16-9)14(18)17(3)8-11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3
InChIKeyVLHKZNWADZORRJ-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.79
Rot. Bonds3

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

N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 47096995) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID47096995
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C14H15BrN2OS/c1-9-13(19-10(2)16-9)14(18)17(3)8-11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3
InChIKeyVLHKZNWADZORRJ-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065
5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617538
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 24542052
N-[(4-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616317
N-[(4-bromophenyl)methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24652908
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55686975
N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59179755
N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 8967925
2-amino-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62793462

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (CID 47096995) is N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)Cc2ccc(Br)cc2)s1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is VLHKZNWADZORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-13(19-10(2)16-9)14(18)17(3)8-11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47096995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).