4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C13H14BrFN4OS — CID 107605084

IUPAC4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2c(F)cccc2Br)s1
InChIInChI=1S/C13H14BrFN4OS/c1-2-6-17-13-19-11(16)10(21-13)12(20)18-9-7(14)4-3-5-8(9)15/h3-5H,2,6,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyIVUQJZPANKWBKM-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.70
Rot. Bonds5

About 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 107605084) has the molecular formula C13H14BrFN4OS and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID107605084
Molecular FormulaC13H14BrFN4OS
Molecular Weight373.25 g/mol
Exact Mass372.01
IUPAC Name4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2c(F)cccc2Br)s1
InChIInChI=1S/C13H14BrFN4OS/c1-2-6-17-13-19-11(16)10(21-13)12(20)18-9-7(14)4-3-5-8(9)15/h3-5H,2,6,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyIVUQJZPANKWBKM-UHFFFAOYSA-N
XLogP3.70
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116670549
4-amino-N-(2,6-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669233
N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
CID 107603351
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666120
N-(2-bromo-6-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 107603315
3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
CID 107596209
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668346
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 107605084) is 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)Nc2c(F)cccc2Br)s1.
What is the InChIKey of 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IVUQJZPANKWBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4OS/c1-2-6-17-13-19-11(16)10(21-13)12(20)18-9-7(14)4-3-5-8(9)15/h3-5H,2,6,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107605084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).