N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C16H22N2OS — CID 3372949

IUPACN-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H22N2OS/c1-9-14(20-10(2)17-9)15(19)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H,18,19)
InChIKeyFVMFGNBRCDDCPL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.46
Rot. Bonds2

About N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 3372949) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID3372949
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H22N2OS/c1-9-14(20-10(2)17-9)15(19)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H,18,19)
InChIKeyFVMFGNBRCDDCPL-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 3372949) is N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FVMFGNBRCDDCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-9-14(20-10(2)17-9)15(19)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3372949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).