4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

C11H10BrFN4OS — CID 116673325

IUPAC4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H10BrFN4OS/c1-15-11-17-9(14)8(19-11)10(18)16-5-2-3-7(13)6(12)4-5/h2-4H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeySUSDDQCUAPXNET-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.92
Rot. Bonds3

About 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116673325) has the molecular formula C11H10BrFN4OS and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116673325
Molecular FormulaC11H10BrFN4OS
Molecular Weight345.20 g/mol
Exact Mass343.97
IUPAC Name4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H10BrFN4OS/c1-15-11-17-9(14)8(19-11)10(18)16-5-2-3-7(13)6(12)4-5/h2-4H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeySUSDDQCUAPXNET-UHFFFAOYSA-N
XLogP2.92
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 114841246
4-amino-2-(methylamino)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665575
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107371265
4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 116671061
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671420
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668043
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
2-(3-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 104781919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116673325) is 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)Nc2ccc(F)c(Br)c2)s1.
What is the InChIKey of 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is SUSDDQCUAPXNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4OS/c1-15-11-17-9(14)8(19-11)10(18)16-5-2-3-7(13)6(12)4-5/h2-4H,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).