7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine

C26H29N7O3S4 — CID 167377321

IUPAC7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](C)Nc4ncnc5c(-c6sc(C)nc6C)csc45)CC3)s2)on1
InChIInChI=1S/C26H29N7O3S4/c1-15-11-20(36-31-15)21-5-6-22(39-21)40(34,35)33-9-7-32(8-10-33)12-16(2)29-26-25-23(27-14-28-26)19(13-37-25)24-17(3)30-18(4)38-24/h5-6,11,13-14,16H,7-10,12H2,1-4H3,(H,27,28,29)/t16-/m0/s1
InChIKeyFJGQYDSWLJJKLI-INIZCTEOSA-N
MW615.83 g/mol
LogP5.26
Rot. Bonds8

About 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine

7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 167377321) has the molecular formula C26H29N7O3S4 and a molecular weight of 615.83 g/mol. Its IUPAC name is 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID167377321
Molecular FormulaC26H29N7O3S4
Molecular Weight615.83 g/mol
Exact Mass615.12
IUPAC Name7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](C)Nc4ncnc5c(-c6sc(C)nc6C)csc45)CC3)s2)on1
InChIInChI=1S/C26H29N7O3S4/c1-15-11-20(36-31-15)21-5-6-22(39-21)40(34,35)33-9-7-32(8-10-33)12-16(2)29-26-25-23(27-14-28-26)19(13-37-25)24-17(3)30-18(4)38-24/h5-6,11,13-14,16H,7-10,12H2,1-4H3,(H,27,28,29)/t16-/m0/s1
InChIKeyFJGQYDSWLJJKLI-INIZCTEOSA-N
XLogP5.26
TPSA117.35 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500615.83
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine (CID 167377321) is 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine is Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](C)Nc4ncnc5c(-c6sc(C)nc6C)csc45)CC3)s2)on1.
What is the InChIKey of 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FJGQYDSWLJJKLI-INIZCTEOSA-N. The full InChI is InChI=1S/C26H29N7O3S4/c1-15-11-20(36-31-15)21-5-6-22(39-21)40(34,35)33-9-7-32(8-10-33)12-16(2)29-26-25-23(27-14-28-26)19(13-37-25)24-17(3)30-18(4)38-24/h5-6,11,13-14,16H,7-10,12H2,1-4H3,(H,27,28,29)/t16-/m0/s1.
What are the key properties of 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 615.83 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 167377321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).