N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine

C24H31N7OS — CID 59145079

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCC1CN(c2cc(Nc3ncc(-c4ccncc4)s3)nc(N3CCN(C)CC3)c2)CC(C)O1
InChIInChI=1S/C24H31N7OS/c1-17-15-31(16-18(2)32-17)20-12-22(27-23(13-20)30-10-8-29(3)9-11-30)28-24-26-14-21(33-24)19-4-6-25-7-5-19/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H,26,27,28)
InChIKeyBVOOXLQVQDAOFS-UHFFFAOYSA-N
MW465.63 g/mol
LogP3.71
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine

N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 59145079) has the molecular formula C24H31N7OS and a molecular weight of 465.63 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID59145079
Molecular FormulaC24H31N7OS
Molecular Weight465.63 g/mol
Exact Mass465.23
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCC1CN(c2cc(Nc3ncc(-c4ccncc4)s3)nc(N3CCN(C)CC3)c2)CC(C)O1
InChIInChI=1S/C24H31N7OS/c1-17-15-31(16-18(2)32-17)20-12-22(27-23(13-20)30-10-8-29(3)9-11-30)28-24-26-14-21(33-24)19-4-6-25-7-5-19/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H,26,27,28)
InChIKeyBVOOXLQVQDAOFS-UHFFFAOYSA-N
XLogP3.71
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine (CID 59145079) is N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine is CC1CN(c2cc(Nc3ncc(-c4ccncc4)s3)nc(N3CCN(C)CC3)c2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is BVOOXLQVQDAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS/c1-17-15-31(16-18(2)32-17)20-12-22(27-23(13-20)30-10-8-29(3)9-11-30)28-24-26-14-21(33-24)19-4-6-25-7-5-19/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H,26,27,28).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 465.63 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 59145079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).