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

C19H23N7S — CID 137355934

IUPACN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCN1CCN(c2cc(Nc3nc(-c4cccnc4)cs3)nc(C)n2)CC1
InChIInChI=1S/C19H23N7S/c1-3-25-7-9-26(10-8-25)18-11-17(21-14(2)22-18)24-19-23-16(13-27-19)15-5-4-6-20-12-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyNDODXTWQIWRLJN-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.19
Rot. Bonds5

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

N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 137355934) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID137355934
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC NameN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCN1CCN(c2cc(Nc3nc(-c4cccnc4)cs3)nc(C)n2)CC1
InChIInChI=1S/C19H23N7S/c1-3-25-7-9-26(10-8-25)18-11-17(21-14(2)22-18)24-19-23-16(13-27-19)15-5-4-6-20-12-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyNDODXTWQIWRLJN-UHFFFAOYSA-N
XLogP3.19
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.19
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]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 137355934) is N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is CCN1CCN(c2cc(Nc3nc(-c4cccnc4)cs3)nc(C)n2)CC1.
What is the InChIKey of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is NDODXTWQIWRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7S/c1-3-25-7-9-26(10-8-25)18-11-17(21-14(2)22-18)24-19-23-16(13-27-19)15-5-4-6-20-12-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 381.51 g/mol, XLogP of 3.19, 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]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 137355934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).