N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide

C19H17N5O2S — CID 166069660

IUPACN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide
SMILESN#CCc1ccc(C(=O)Nc2ccc3c(c2)C2(CCO3)CSC(N)=N2)nc1
InChIInChI=1S/C19H17N5O2S/c20-7-5-12-1-3-15(22-10-12)17(25)23-13-2-4-16-14(9-13)19(6-8-26-16)11-27-18(21)24-19/h1-4,9-10H,5-6,8,11H2,(H2,21,24)(H,23,25)
InChIKeyZPYBTWSBZODPND-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.44
Rot. Bonds3

About N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide

N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide (PubChem CID 166069660) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide
PubChem CID166069660
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide
SMILESN#CCc1ccc(C(=O)Nc2ccc3c(c2)C2(CCO3)CSC(N)=N2)nc1
InChIInChI=1S/C19H17N5O2S/c20-7-5-12-1-3-15(22-10-12)17(25)23-13-2-4-16-14(9-13)19(6-8-26-16)11-27-18(21)24-19/h1-4,9-10H,5-6,8,11H2,(H2,21,24)(H,23,25)
InChIKeyZPYBTWSBZODPND-UHFFFAOYSA-N
XLogP2.44
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
CID 44626066
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
CID 143933560
N-(2'-amino-3-methylspiro[1,3-dihydroisochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(methoxymethyl)pyridine-2-carboxamide
CID 166069631
CID 90248997
CID 90248997
N-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
CID 122535435
N-(2-amino-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-cyanopyridine-2-carboxamide
CID 78104889
N-(2'-aminospiro[1,3-dihydroisochromene-4,4'-5H-1,3-thiazole]-6-yl)-3,5-bis(chloromethyl)pyridine-2-carboxamide
CID 166069656
N-[(4aR,11bR)-2-amino-4,4-dihydroxy-3,11b-dimethyl-5,6-dihydro-4aH-[1]benzoxepino[5,4-e][1,2,4]thiadiazin-10-yl]-5-cyanopyridine-2-carboxamide
CID 130365603
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104641096
N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-cyanophenyl]-5-bromopyridine-2-carboxamide
CID 123297428
tert-butyl N-[(4R)-6-[(5-chloropyridine-2-carbonyl)amino]-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-3'-yl]carbamate
CID 122535441
N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide
CID 143933559

Frequently Asked Questions

What is the IUPAC name of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide (CID 166069660) is N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide is N#CCc1ccc(C(=O)Nc2ccc3c(c2)C2(CCO3)CSC(N)=N2)nc1.
What is the InChIKey of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide?
The InChIKey is ZPYBTWSBZODPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-7-5-12-1-3-15(22-10-12)17(25)23-13-2-4-16-14(9-13)19(6-8-26-16)11-27-18(21)24-19/h1-4,9-10H,5-6,8,11H2,(H2,21,24)(H,23,25).
What are the key properties of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide?
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166069660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).