N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C18H19N7S — CID 87945563

IUPACN-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(CN(C)C)ccn3)sc2n1
InChIInChI=1S/C18H19N7S/c1-11-13(9-20-24-11)14-4-5-15-17(21-14)26-18(22-15)23-16-8-12(6-7-19-16)10-25(2)3/h4-9H,10H2,1-3H3,(H,20,24)(H,19,22,23)
InChIKeyVXJFIJNNFDKCFC-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.59
Rot. Bonds5

About N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945563) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945563
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(CN(C)C)ccn3)sc2n1
InChIInChI=1S/C18H19N7S/c1-11-13(9-20-24-11)14-4-5-15-17(21-14)26-18(22-15)23-16-8-12(6-7-19-16)10-25(2)3/h4-9H,10H2,1-3H3,(H,20,24)(H,19,22,23)
InChIKeyVXJFIJNNFDKCFC-UHFFFAOYSA-N
XLogP3.59
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945563) is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(CN(C)C)ccn3)sc2n1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is VXJFIJNNFDKCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S/c1-11-13(9-20-24-11)14-4-5-15-17(21-14)26-18(22-15)23-16-8-12(6-7-19-16)10-25(2)3/h4-9H,10H2,1-3H3,(H,20,24)(H,19,22,23).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 365.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).