N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 166314029

IUPACN-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[C@@H](N)C[C@H]3O)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-11-4-6-12(7-5-11)18-20-10(2)16(24-18)17(23)21-14-8-13(19)9-15(14)22/h4-7,13-15,22H,3,8-9,19H2,1-2H3,(H,21,23)/t13-,14-,15-/m1/s1
InChIKeyBSSLMBBRAOMKBI-RBSFLKMASA-N
MW345.47 g/mol
LogP2.26
Rot. Bonds4

About N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 166314029) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID166314029
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[C@@H](N)C[C@H]3O)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-11-4-6-12(7-5-11)18-20-10(2)16(24-18)17(23)21-14-8-13(19)9-15(14)22/h4-7,13-15,22H,3,8-9,19H2,1-2H3,(H,21,23)/t13-,14-,15-/m1/s1
InChIKeyBSSLMBBRAOMKBI-RBSFLKMASA-N
XLogP2.26
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 166314029) is N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[C@@H](N)C[C@H]3O)s2)cc1.
What is the InChIKey of N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BSSLMBBRAOMKBI-RBSFLKMASA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-11-4-6-12(7-5-11)18-20-10(2)16(24-18)17(23)21-14-8-13(19)9-15(14)22/h4-7,13-15,22H,3,8-9,19H2,1-2H3,(H,21,23)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166314029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).