N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide

C17H20FN3O3S — CID 110157911

IUPACN-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cncs1
InChIInChI=1S/C17H20FN3O3S/c1-21(2)15-12(20-17(23)14-8-19-9-25-14)7-13(16(15)22)24-11-5-3-4-10(18)6-11/h3-6,8-9,12-13,15-16,22H,7H2,1-2H3,(H,20,23)/t12-,13-,15+,16+/m1/s1
InChIKeyFJFYKMHVYZXJHX-VDERGJSUSA-N
MW365.43 g/mol
LogP1.52
Rot. Bonds5

About N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide

N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide (PubChem CID 110157911) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
PubChem CID110157911
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cncs1
InChIInChI=1S/C17H20FN3O3S/c1-21(2)15-12(20-17(23)14-8-19-9-25-14)7-13(16(15)22)24-11-5-3-4-10(18)6-11/h3-6,8-9,12-13,15-16,22H,7H2,1-2H3,(H,20,23)/t12-,13-,15+,16+/m1/s1
InChIKeyFJFYKMHVYZXJHX-VDERGJSUSA-N
XLogP1.52
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide (CID 110157911) is N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide is CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cncs1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FJFYKMHVYZXJHX-VDERGJSUSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-21(2)15-12(20-17(23)14-8-19-9-25-14)7-13(16(15)22)24-11-5-3-4-10(18)6-11/h3-6,8-9,12-13,15-16,22H,7H2,1-2H3,(H,20,23)/t12-,13-,15+,16+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide?
N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110157911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).