4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine

C17H13BrN4S — CID 139972645

IUPAC4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3c[nH]c4ccc(Br)cc34)cs2)cn1
InChIInChI=1S/C17H13BrN4S/c1-10-2-4-12(7-19-10)21-17-22-16(9-23-17)14-8-20-15-5-3-11(18)6-13(14)15/h2-9,20H,1H3,(H,21,22)
InChIKeyROUQUTMIIHNLTO-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.50
Rot. Bonds3

About 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine

4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 139972645) has the molecular formula C17H13BrN4S and a molecular weight of 385.29 g/mol. Its IUPAC name is 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine
PubChem CID139972645
Molecular FormulaC17H13BrN4S
Molecular Weight385.29 g/mol
Exact Mass384.00
IUPAC Name4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3c[nH]c4ccc(Br)cc34)cs2)cn1
InChIInChI=1S/C17H13BrN4S/c1-10-2-4-12(7-19-10)21-17-22-16(9-23-17)14-8-20-15-5-3-11(18)6-13(14)15/h2-9,20H,1H3,(H,21,22)
InChIKeyROUQUTMIIHNLTO-UHFFFAOYSA-N
XLogP5.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966
8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-yl]-quinoline
CID 14722779
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 2118298
4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8902468
4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 912884
4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 3934902
N-[4-(1H-Indol-3-yl)-thiazol-2-ylmethyl]-N-methyl-guanidine
CID 15636984
3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-1H-indole
CID 44287513
4-(4-bromophenyl)-2-(3-indolylidene)-3H-thiazole
CID 1186916
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2430892
N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine
CID 5066771

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine (CID 139972645) is 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3c[nH]c4ccc(Br)cc34)cs2)cn1.
What is the InChIKey of 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ROUQUTMIIHNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4S/c1-10-2-4-12(7-19-10)21-17-22-16(9-23-17)14-8-20-15-5-3-11(18)6-13(14)15/h2-9,20H,1H3,(H,21,22).
What are the key properties of 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 385.29 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-indol-3-yl)-N-(6-methyl-3-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 139972645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).