N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C17H18FN5O3S — CID 155055101

IUPACN-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3ncnc4ccoc34)CC2C)s1
InChIInChI=1S/C17H18FN5O3S/c1-9-5-11(26-16-14-12(3-4-25-14)19-8-20-16)6-23(9)7-13-15(18)22-17(27-13)21-10(2)24/h3-4,8-9,11H,5-7H2,1-2H3,(H,21,22,24)
InChIKeyVHVSVAAMXJMYAO-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.82
Rot. Bonds5

About N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155055101) has the molecular formula C17H18FN5O3S and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155055101
Molecular FormulaC17H18FN5O3S
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC NameN-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3ncnc4ccoc34)CC2C)s1
InChIInChI=1S/C17H18FN5O3S/c1-9-5-11(26-16-14-12(3-4-25-14)19-8-20-16)6-23(9)7-13-15(18)22-17(27-13)21-10(2)24/h3-4,8-9,11H,5-7H2,1-2H3,(H,21,22,24)
InChIKeyVHVSVAAMXJMYAO-UHFFFAOYSA-N
XLogP2.82
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 155055101) is N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CC(Oc3ncnc4ccoc34)CC2C)s1.
What is the InChIKey of N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VHVSVAAMXJMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3S/c1-9-5-11(26-16-14-12(3-4-25-14)19-8-20-16)6-23(9)7-13-15(18)22-17(27-13)21-10(2)24/h3-4,8-9,11H,5-7H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155055101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).