2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine

C20H18N8S — CID 69144710

IUPAC2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1nc2c(N(c3ccn(C)n3)c3ccn(C)n3)ncc(-c3cccnc3)c2s1
InChIInChI=1S/C20H18N8S/c1-13-23-18-19(29-13)15(14-5-4-8-21-11-14)12-22-20(18)28(16-6-9-26(2)24-16)17-7-10-27(3)25-17/h4-12H,1-3H3
InChIKeyLZYSLUBTQVIOEC-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.00
Rot. Bonds4

About 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine

2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine (PubChem CID 69144710) has the molecular formula C20H18N8S and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine
PubChem CID69144710
Molecular FormulaC20H18N8S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1nc2c(N(c3ccn(C)n3)c3ccn(C)n3)ncc(-c3cccnc3)c2s1
InChIInChI=1S/C20H18N8S/c1-13-23-18-19(29-13)15(14-5-4-8-21-11-14)12-22-20(18)28(16-6-9-26(2)24-16)17-7-10-27(3)25-17/h4-12H,1-3H3
InChIKeyLZYSLUBTQVIOEC-UHFFFAOYSA-N
XLogP4.00
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine (CID 69144710) is 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine is Cc1nc2c(N(c3ccn(C)n3)c3ccn(C)n3)ncc(-c3cccnc3)c2s1.
What is the InChIKey of 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The InChIKey is LZYSLUBTQVIOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8S/c1-13-23-18-19(29-13)15(14-5-4-8-21-11-14)12-22-20(18)28(16-6-9-26(2)24-16)17-7-10-27(3)25-17/h4-12H,1-3H3.
What are the key properties of 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine?
2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine has a molecular weight of 402.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(1-methylpyrazol-3-yl)-7-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69144710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).