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

C15H15N5OS2 — CID 70715252

IUPAC(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4nc(N)sc4C3)n[nH]2)s1
InChIInChI=1S/C15H15N5OS2/c1-8-2-3-12(22-8)10-6-11(19-18-10)14(21)20-5-4-9-13(7-20)23-15(16)17-9/h2-3,6H,4-5,7H2,1H3,(H2,16,17)(H,18,19)
InChIKeyCWPWGDQBMQWEOE-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.68
Rot. Bonds2

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

(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 70715252) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID70715252
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4nc(N)sc4C3)n[nH]2)s1
InChIInChI=1S/C15H15N5OS2/c1-8-2-3-12(22-8)10-6-11(19-18-10)14(21)20-5-4-9-13(7-20)23-15(16)17-9/h2-3,6H,4-5,7H2,1H3,(H2,16,17)(H,18,19)
InChIKeyCWPWGDQBMQWEOE-UHFFFAOYSA-N
XLogP2.68
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
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)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (CID 70715252) is (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCc4nc(N)sc4C3)n[nH]2)s1.
What is the InChIKey of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is CWPWGDQBMQWEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-8-2-3-12(22-8)10-6-11(19-18-10)14(21)20-5-4-9-13(7-20)23-15(16)17-9/h2-3,6H,4-5,7H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 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)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 70715252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).