1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C16H21N5OS — CID 50981283

IUPAC1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESNc1nc2c(s1)CN(C(=O)CCc1n[nH]c3c1CCCC3)CC2
InChIInChI=1S/C16H21N5OS/c17-16-18-13-7-8-21(9-14(13)23-16)15(22)6-5-12-10-3-1-2-4-11(10)19-20-12/h1-9H2,(H2,17,18)(H,19,20)
InChIKeyNYRLDRHRGNYHKV-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 50981283) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID50981283
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESNc1nc2c(s1)CN(C(=O)CCc1n[nH]c3c1CCCC3)CC2
InChIInChI=1S/C16H21N5OS/c17-16-18-13-7-8-21(9-14(13)23-16)15(22)6-5-12-10-3-1-2-4-11(10)19-20-12/h1-9H2,(H2,17,18)(H,19,20)
InChIKeyNYRLDRHRGNYHKV-UHFFFAOYSA-N
XLogP1.84
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 50981283) is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is Nc1nc2c(s1)CN(C(=O)CCc1n[nH]c3c1CCCC3)CC2.
What is the InChIKey of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is NYRLDRHRGNYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-16-18-13-7-8-21(9-14(13)23-16)15(22)6-5-12-10-3-1-2-4-11(10)19-20-12/h1-9H2,(H2,17,18)(H,19,20).
What are the key properties of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 331.45 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 50981283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).