2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine

C15H13N5S — CID 161370348

IUPAC2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESNCc1nc2c(N)nc3cc(C4=CC=NC4)ccc3c2s1
InChIInChI=1S/C15H13N5S/c16-6-12-20-13-14(21-12)10-2-1-8(9-3-4-18-7-9)5-11(10)19-15(13)17/h1-5H,6-7,16H2,(H2,17,19)
InChIKeyBTWCUMMIRAABGL-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.35
Rot. Bonds2

About 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine

2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 161370348) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID161370348
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESNCc1nc2c(N)nc3cc(C4=CC=NC4)ccc3c2s1
InChIInChI=1S/C15H13N5S/c16-6-12-20-13-14(21-12)10-2-1-8(9-3-4-18-7-9)5-11(10)19-15(13)17/h1-5H,6-7,16H2,(H2,17,19)
InChIKeyBTWCUMMIRAABGL-UHFFFAOYSA-N
XLogP2.35
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 158486828
2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 160701841
[4-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
CID 68668475
(4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol
CID 69330965
[6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol
CID 157320438
2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide
CID 59007714
N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide
CID 159055313
4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 148506480
4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 159916294
[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
CID 68668474
(2R,3R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]butane-1,3-diol
CID 165021169
methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate
CID 155679564

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 161370348) is 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is NCc1nc2c(N)nc3cc(C4=CC=NC4)ccc3c2s1.
What is the InChIKey of 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is BTWCUMMIRAABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c16-6-12-20-13-14(21-12)10-2-1-8(9-3-4-18-7-9)5-11(10)19-15(13)17/h1-5H,6-7,16H2,(H2,17,19).
What are the key properties of 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 295.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 161370348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).