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N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide

C21H25N7OS — CID 155536511

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide
SMILESCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(C)=O)cc4)s3)ncn2)CC1
InChIInChI=1S/C21H25N7OS/c1-3-27-8-10-28(11-9-27)20-12-19(23-14-24-20)26-21-22-13-18(30-21)16-4-6-17(7-5-16)25-15(2)29/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,29)(H,22,23,24,26)
InChIKeyHRTDBNYJYGFMOU-UHFFFAOYSA-N
MW423.55 g/mol
LogP3.44
Rot. Bonds6

About N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide

N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide (PubChem CID 155536511) has the molecular formula C21H25N7OS and a molecular weight of 423.55 g/mol. Its IUPAC name is N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide
PubChem CID155536511
Molecular FormulaC21H25N7OS
Molecular Weight423.55 g/mol
Exact Mass423.18
IUPAC NameN-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide
SMILESCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(C)=O)cc4)s3)ncn2)CC1
InChIInChI=1S/C21H25N7OS/c1-3-27-8-10-28(11-9-27)20-12-19(23-14-24-20)26-21-22-13-18(30-21)16-4-6-17(7-5-16)25-15(2)29/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,29)(H,22,23,24,26)
InChIKeyHRTDBNYJYGFMOU-UHFFFAOYSA-N
XLogP3.44
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide (CID 155536511) is N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide is CCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(C)=O)cc4)s3)ncn2)CC1.
What is the InChIKey of N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide?
The InChIKey is HRTDBNYJYGFMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7OS/c1-3-27-8-10-28(11-9-27)20-12-19(23-14-24-20)26-21-22-13-18(30-21)16-4-6-17(7-5-16)25-15(2)29/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,29)(H,22,23,24,26).
What are the key properties of N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide?
N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide has a molecular weight of 423.55 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 155536511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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