(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone

C19H21N5OS — CID 56892412

IUPAC(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2ccc(C(=O)N3CCc4nc(N)sc4C3)cc2)n1
InChIInChI=1S/C19H21N5OS/c1-12-9-13(2)24(22-12)10-14-3-5-15(6-4-14)18(25)23-8-7-16-17(11-23)26-19(20)21-16/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,21)
InChIKeyCLQJLRCVLOCYDV-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.79
Rot. Bonds3

About (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone

(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone (PubChem CID 56892412) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
PubChem CID56892412
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2ccc(C(=O)N3CCc4nc(N)sc4C3)cc2)n1
InChIInChI=1S/C19H21N5OS/c1-12-9-13(2)24(22-12)10-14-3-5-15(6-4-14)18(25)23-8-7-16-17(11-23)26-19(20)21-16/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,21)
InChIKeyCLQJLRCVLOCYDV-UHFFFAOYSA-N
XLogP2.79
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone (CID 56892412) is (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone is Cc1cc(C)n(Cc2ccc(C(=O)N3CCc4nc(N)sc4C3)cc2)n1.
What is the InChIKey of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The InChIKey is CLQJLRCVLOCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-9-13(2)24(22-12)10-14-3-5-15(6-4-14)18(25)23-8-7-16-17(11-23)26-19(20)21-16/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,21).
What are the key properties of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone has a molecular weight of 367.48 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 56892412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).