methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate

C16H14N6O2S — CID 155679564

IUPACmethyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2s1
InChIInChI=1S/C16H14N6O2S/c1-24-16(23)18-7-12-21-13-14(25-12)9-3-2-8(10-4-5-19-22-10)6-11(9)20-15(13)17/h2-6H,7H2,1H3,(H2,17,20)(H,18,23)(H,19,22)
InChIKeyYTKCLGOOVCDZJY-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.67
Rot. Bonds3

About methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate

methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate (PubChem CID 155679564) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate
PubChem CID155679564
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Namemethyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2s1
InChIInChI=1S/C16H14N6O2S/c1-24-16(23)18-7-12-21-13-14(25-12)9-3-2-8(10-4-5-19-22-10)6-11(9)20-15(13)17/h2-6H,7H2,1H3,(H2,17,20)(H,18,23)(H,19,22)
InChIKeyYTKCLGOOVCDZJY-UHFFFAOYSA-N
XLogP2.67
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate with MolForge

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Related Compounds

N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide
CID 157023032
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 175627878
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
CID 157058511
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
CID 156756381
2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide
CID 59007714
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide
CID 160576900
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
CID 157134726
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
CID 175625447
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 160887077
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide
CID 149442222
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-ethoxyacetamide
CID 148927769

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate (CID 155679564) is methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate is COC(=O)NCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2s1.
What is the InChIKey of methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate?
The InChIKey is YTKCLGOOVCDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-24-16(23)18-7-12-21-13-14(25-12)9-3-2-8(10-4-5-19-22-10)6-11(9)20-15(13)17/h2-6H,7H2,1H3,(H2,17,20)(H,18,23)(H,19,22).
What are the key properties of methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate?
methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate has a molecular weight of 354.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]methyl]carbamate is sourced from PubChem (CID 155679564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).