2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 90648353

IUPAC2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NC2CCc3ccccc3C2)s1
InChIInChI=1S/C17H21N3OS/c1-3-18-17-19-11(2)15(22-17)16(21)20-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14H,3,8-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOHRITFGLHHQWRI-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.17
Rot. Bonds4

About 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 90648353) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID90648353
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NC2CCc3ccccc3C2)s1
InChIInChI=1S/C17H21N3OS/c1-3-18-17-19-11(2)15(22-17)16(21)20-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14H,3,8-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOHRITFGLHHQWRI-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide (CID 90648353) is 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NC2CCc3ccccc3C2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is OHRITFGLHHQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-18-17-19-11(2)15(22-17)16(21)20-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14H,3,8-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90648353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).