N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

C18H21N5OS — CID 155952291

IUPACN-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)N[C@H](C)c3cnnn3C)cs2)cc1
InChIInChI=1S/C18H21N5OS/c1-11(2)13-5-7-14(8-6-13)18-21-15(10-25-18)17(24)20-12(3)16-9-19-22-23(16)4/h5-12H,1-4H3,(H,20,24)/t12-/m1/s1
InChIKeyJJEUKUXRZCBGOG-GFCCVEGCSA-N
MW355.47 g/mol
LogP3.55
Rot. Bonds5

About N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 155952291) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID155952291
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)N[C@H](C)c3cnnn3C)cs2)cc1
InChIInChI=1S/C18H21N5OS/c1-11(2)13-5-7-14(8-6-13)18-21-15(10-25-18)17(24)20-12(3)16-9-19-22-23(16)4/h5-12H,1-4H3,(H,20,24)/t12-/m1/s1
InChIKeyJJEUKUXRZCBGOG-GFCCVEGCSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 155952291) is N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)c3cnnn3C)cs2)cc1.
What is the InChIKey of N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JJEUKUXRZCBGOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11(2)13-5-7-14(8-6-13)18-21-15(10-25-18)17(24)20-12(3)16-9-19-22-23(16)4/h5-12H,1-4H3,(H,20,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methyltriazol-4-yl)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155952291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).