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

C22H27N7OS — CID 24831961

IUPACN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4ccnc(N5CCOCC5)c4)s3)c2)CC1
InChIInChI=1S/C22H27N7OS/c1-27-6-8-28(9-7-27)18-3-5-23-20(15-18)26-22-25-16-19(31-22)17-2-4-24-21(14-17)29-10-12-30-13-11-29/h2-5,14-16H,6-13H2,1H3,(H,23,25,26)
InChIKeyGACKGXFYQKIRNN-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.93
Rot. Bonds5

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

N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 24831961) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
PubChem CID24831961
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4ccnc(N5CCOCC5)c4)s3)c2)CC1
InChIInChI=1S/C22H27N7OS/c1-27-6-8-28(9-7-27)18-3-5-23-20(15-18)26-22-25-16-19(31-22)17-2-4-24-21(14-17)29-10-12-30-13-11-29/h2-5,14-16H,6-13H2,1H3,(H,23,25,26)
InChIKeyGACKGXFYQKIRNN-UHFFFAOYSA-N
XLogP2.93
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine (CID 24831961) is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine is CN1CCN(c2ccnc(Nc3ncc(-c4ccnc(N5CCOCC5)c4)s3)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is GACKGXFYQKIRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-27-6-8-28(9-7-27)18-3-5-23-20(15-18)26-22-25-16-19(31-22)17-2-4-24-21(14-17)29-10-12-30-13-11-29/h2-5,14-16H,6-13H2,1H3,(H,23,25,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine?
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 437.57 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24831961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).