N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine

C20H25N7S — CID 155521762

IUPACN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCCN1CCN(c2cc(Nc3ncc(-c4ccnc(C)c4)s3)nc(C)n2)CC1
InChIInChI=1S/C20H25N7S/c1-4-26-7-9-27(10-8-26)19-12-18(23-15(3)24-19)25-20-22-13-17(28-20)16-5-6-21-14(2)11-16/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23,24,25)
InChIKeyNECAAKFLCOQNCQ-UHFFFAOYSA-N
MW395.54 g/mol
LogP3.50
Rot. Bonds5

About N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine

N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 155521762) has the molecular formula C20H25N7S and a molecular weight of 395.54 g/mol. Its IUPAC name is N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine
PubChem CID155521762
Molecular FormulaC20H25N7S
Molecular Weight395.54 g/mol
Exact Mass395.19
IUPAC NameN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCCN1CCN(c2cc(Nc3ncc(-c4ccnc(C)c4)s3)nc(C)n2)CC1
InChIInChI=1S/C20H25N7S/c1-4-26-7-9-27(10-8-26)19-12-18(23-15(3)24-19)25-20-22-13-17(28-20)16-5-6-21-14(2)11-16/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23,24,25)
InChIKeyNECAAKFLCOQNCQ-UHFFFAOYSA-N
XLogP3.50
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine (CID 155521762) is N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine is CCN1CCN(c2cc(Nc3ncc(-c4ccnc(C)c4)s3)nc(C)n2)CC1.
What is the InChIKey of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is NECAAKFLCOQNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7S/c1-4-26-7-9-27(10-8-26)19-12-18(23-15(3)24-19)25-20-22-13-17(28-20)16-5-6-21-14(2)11-16/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23,24,25).
What are the key properties of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine?
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 395.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155521762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).