[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone

C23H23FN8OS2 — CID 144984235

IUPAC[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(F)cn5)C[C@H]4C)cn3)n2)s1
InChIInChI=1S/C23H23FN8OS2/c1-13-11-31(22-26-9-17(24)10-27-22)6-7-32(13)21(33)16-4-5-19(25-8-16)30-23-29-18(12-34-23)20-14(2)28-15(3)35-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,29,30)/t13-/m1/s1
InChIKeyYRLUSYYSHQQRRP-CYBMUJFWSA-N
MW510.62 g/mol
LogP4.30
Rot. Bonds5

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone (PubChem CID 144984235) has the molecular formula C23H23FN8OS2 and a molecular weight of 510.62 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
PubChem CID144984235
Molecular FormulaC23H23FN8OS2
Molecular Weight510.62 g/mol
Exact Mass510.14
IUPAC Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(F)cn5)C[C@H]4C)cn3)n2)s1
InChIInChI=1S/C23H23FN8OS2/c1-13-11-31(22-26-9-17(24)10-27-22)6-7-32(13)21(33)16-4-5-19(25-8-16)30-23-29-18(12-34-23)20-14(2)28-15(3)35-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,29,30)/t13-/m1/s1
InChIKeyYRLUSYYSHQQRRP-CYBMUJFWSA-N
XLogP4.30
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone (CID 144984235) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(F)cn5)C[C@H]4C)cn3)n2)s1.
What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone?
The InChIKey is YRLUSYYSHQQRRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H23FN8OS2/c1-13-11-31(22-26-9-17(24)10-27-22)6-7-32(13)21(33)16-4-5-19(25-8-16)30-23-29-18(12-34-23)20-14(2)28-15(3)35-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,29,30)/t13-/m1/s1.
What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone?
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone has a molecular weight of 510.62 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 144984235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).