N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C19H21N3OS — CID 53134359

IUPACN-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(-n2cccc2)sc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13(2)16-17(24-19(21-16)22-11-7-8-12-22)18(23)20-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,20,23)
InChIKeyHEZLHKPYUCRRAX-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.55
Rot. Bonds5

About N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134359) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134359
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(-n2cccc2)sc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13(2)16-17(24-19(21-16)22-11-7-8-12-22)18(23)20-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,20,23)
InChIKeyHEZLHKPYUCRRAX-UHFFFAOYSA-N
XLogP4.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134359) is N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CC(C)c1nc(-n2cccc2)sc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HEZLHKPYUCRRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13(2)16-17(24-19(21-16)22-11-7-8-12-22)18(23)20-14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,20,23).
What are the key properties of N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).