N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide

C17H22N2O3S — CID 97215278

IUPACN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NC[C@H](O)C1CCCCC1
InChIInChI=1S/C17H22N2O3S/c20-15(12-4-2-1-3-5-12)9-18-16(21)8-14-11-23-17(19-14)13-6-7-22-10-13/h6-7,10-12,15,20H,1-5,8-9H2,(H,18,21)/t15-/m0/s1
InChIKeyYHYQBDQVRZLFDS-HNNXBMFYSA-N
MW334.44 g/mol
LogP3.00
Rot. Bonds6

About N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 97215278) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID97215278
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NC[C@H](O)C1CCCCC1
InChIInChI=1S/C17H22N2O3S/c20-15(12-4-2-1-3-5-12)9-18-16(21)8-14-11-23-17(19-14)13-6-7-22-10-13/h6-7,10-12,15,20H,1-5,8-9H2,(H,18,21)/t15-/m0/s1
InChIKeyYHYQBDQVRZLFDS-HNNXBMFYSA-N
XLogP3.00
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide (CID 97215278) is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccoc2)n1)NC[C@H](O)C1CCCCC1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YHYQBDQVRZLFDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-15(12-4-2-1-3-5-12)9-18-16(21)8-14-11-23-17(19-14)13-6-7-22-10-13/h6-7,10-12,15,20H,1-5,8-9H2,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 97215278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).