thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate

C21H24N4O2S — CID 91544459

IUPACthieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(N(C(=O)Oc2ncnc3ccsc23)N2CCCCC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-15(2)16-6-8-17(9-7-16)25(24-11-4-3-5-12-24)21(26)27-20-19-18(10-13-28-19)22-14-23-20/h6-10,13-15H,3-5,11-12H2,1-2H3
InChIKeyHNXXQRDLNGUOJS-UHFFFAOYSA-N
MW396.52 g/mol
LogP5.22
Rot. Bonds4

About thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate

thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate (PubChem CID 91544459) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Namethieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate
PubChem CID91544459
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Namethieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(N(C(=O)Oc2ncnc3ccsc23)N2CCCCC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-15(2)16-6-8-17(9-7-16)25(24-11-4-3-5-12-24)21(26)27-20-19-18(10-13-28-19)22-14-23-20/h6-10,13-15H,3-5,11-12H2,1-2H3
InChIKeyHNXXQRDLNGUOJS-UHFFFAOYSA-N
XLogP5.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate (CID 91544459) is thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(N(C(=O)Oc2ncnc3ccsc23)N2CCCCC2)cc1.
What is the InChIKey of thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is HNXXQRDLNGUOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15(2)16-6-8-17(9-7-16)25(24-11-4-3-5-12-24)21(26)27-20-19-18(10-13-28-19)22-14-23-20/h6-10,13-15H,3-5,11-12H2,1-2H3.
What are the key properties of thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate?
thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 396.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-d]pyrimidin-4-yl N-piperidin-1-yl-N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 91544459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).