2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide

C21H24F2N6O2S — CID 166456610

IUPAC2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3nc(C(C)(C)O)cs3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C21H24F2N6O2S/c1-20(2,31)15-11-32-19(24-15)25-18(30)16(14-8-9-21(22,23)10-14)12-4-6-13(7-5-12)17-26-28-29(3)27-17/h4-7,11,14,16,31H,8-10H2,1-3H3,(H,24,25,30)
InChIKeyHEDAGWNSBZHRAM-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.72
Rot. Bonds6

About 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide

2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 166456610) has the molecular formula C21H24F2N6O2S and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID166456610
Molecular FormulaC21H24F2N6O2S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3nc(C(C)(C)O)cs3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C21H24F2N6O2S/c1-20(2,31)15-11-32-19(24-15)25-18(30)16(14-8-9-21(22,23)10-14)12-4-6-13(7-5-12)17-26-28-29(3)27-17/h4-7,11,14,16,31H,8-10H2,1-3H3,(H,24,25,30)
InChIKeyHEDAGWNSBZHRAM-UHFFFAOYSA-N
XLogP3.72
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (CID 166456610) is 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnc(-c2ccc(C(C(=O)Nc3nc(C(C)(C)O)cs3)C3CCC(F)(F)C3)cc2)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is HEDAGWNSBZHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O2S/c1-20(2,31)15-11-32-19(24-15)25-18(30)16(14-8-9-21(22,23)10-14)12-4-6-13(7-5-12)17-26-28-29(3)27-17/h4-7,11,14,16,31H,8-10H2,1-3H3,(H,24,25,30).
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 166456610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).