N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide

C19H28N2OS — CID 155565172

IUPACN-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2OS/c1-11-15(23-17(20-11)18(2,3)4)16(22)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,5-10H2,1-4H3,(H,21,22)
InChIKeyKZPAMVWVULWRAC-UHFFFAOYSA-N
MW332.51 g/mol
LogP4.45
Rot. Bonds2

About N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide

N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 155565172) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID155565172
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC NameN-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2OS/c1-11-15(23-17(20-11)18(2,3)4)16(22)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,5-10H2,1-4H3,(H,21,22)
InChIKeyKZPAMVWVULWRAC-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide (CID 155565172) is N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KZPAMVWVULWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-11-15(23-17(20-11)18(2,3)4)16(22)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,5-10H2,1-4H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 332.51 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155565172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).