N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide

C14H19N3OS — CID 3876536

IUPACN-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19N3OS/c1-7-13(19-17-16-7)14(18)15-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,15,18)
InChIKeyTXNSEGPXRSKTQS-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.40
Rot. Bonds2

About N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide

N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 3876536) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
PubChem CID3876536
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19N3OS/c1-7-13(19-17-16-7)14(18)15-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,15,18)
InChIKeyTXNSEGPXRSKTQS-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide (CID 3876536) is N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is TXNSEGPXRSKTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-7-13(19-17-16-7)14(18)15-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,15,18).
What are the key properties of N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide?
N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 3876536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).