N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide

C15H20N2OS — CID 4140053

IUPACN-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCc1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H20N2OS/c1-9-8-19-14(16-9)17-13(18)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H,16,17,18)
InChIKeyDNLMLVDQSKYKAJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.61
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 4140053) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID4140053
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCc1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H20N2OS/c1-9-8-19-14(16-9)17-13(18)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H,16,17,18)
InChIKeyDNLMLVDQSKYKAJ-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 4140053) is N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is Cc1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is DNLMLVDQSKYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-8-19-14(16-9)17-13(18)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H,16,17,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 4140053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).