2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate

C24H23FN8O3S — CID 146662574

IUPAC2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate
SMILESO=C(NCCc1nc2ccc(CO)cc2[nH]1)OCCc1nc2c(NCc3ncccc3F)ncnc2s1
InChIInChI=1S/C24H23FN8O3S/c25-15-2-1-7-26-18(15)11-28-22-21-23(30-13-29-22)37-20(33-21)6-9-36-24(35)27-8-5-19-31-16-4-3-14(12-34)10-17(16)32-19/h1-4,7,10,13,34H,5-6,8-9,11-12H2,(H,27,35)(H,31,32)(H,28,29,30)
InChIKeyJNHGHNJNAJXOMV-UHFFFAOYSA-N
MW522.57 g/mol
LogP3.11
Rot. Bonds10

About 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate

2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate (PubChem CID 146662574) has the molecular formula C24H23FN8O3S and a molecular weight of 522.57 g/mol. Its IUPAC name is 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Name2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate
PubChem CID146662574
Molecular FormulaC24H23FN8O3S
Molecular Weight522.57 g/mol
Exact Mass522.16
IUPAC Name2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate
SMILESO=C(NCCc1nc2ccc(CO)cc2[nH]1)OCCc1nc2c(NCc3ncccc3F)ncnc2s1
InChIInChI=1S/C24H23FN8O3S/c25-15-2-1-7-26-18(15)11-28-22-21-23(30-13-29-22)37-20(33-21)6-9-36-24(35)27-8-5-19-31-16-4-3-14(12-34)10-17(16)32-19/h1-4,7,10,13,34H,5-6,8-9,11-12H2,(H,27,35)(H,31,32)(H,28,29,30)
InChIKeyJNHGHNJNAJXOMV-UHFFFAOYSA-N
XLogP3.11
TPSA150.83 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate?
The IUPAC name of 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate (CID 146662574) is 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate?
The canonical SMILES for 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate is O=C(NCCc1nc2ccc(CO)cc2[nH]1)OCCc1nc2c(NCc3ncccc3F)ncnc2s1.
What is the InChIKey of 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate?
The InChIKey is JNHGHNJNAJXOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O3S/c25-15-2-1-7-26-18(15)11-28-22-21-23(30-13-29-22)37-20(33-21)6-9-36-24(35)27-8-5-19-31-16-4-3-14(12-34)10-17(16)32-19/h1-4,7,10,13,34H,5-6,8-9,11-12H2,(H,27,35)(H,31,32)(H,28,29,30).
What are the key properties of 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate?
2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate has a molecular weight of 522.57 g/mol, XLogP of 3.11, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 146662574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).