N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C18H22N4OS2 — CID 112793296

IUPACN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)s1
InChIInChI=1S/C18H22N4OS2/c1-9-14(24-10(2)19-9)15(23)20-17-22-21-16(25-17)18-6-11-3-12(7-18)5-13(4-11)8-18/h11-13H,3-8H2,1-2H3,(H,20,22,23)
InChIKeyGUYAVXAFZJXZHX-UHFFFAOYSA-N
MW374.54 g/mol
LogP4.33
Rot. Bonds3

About N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 112793296) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID112793296
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)s1
InChIInChI=1S/C18H22N4OS2/c1-9-14(24-10(2)19-9)15(23)20-17-22-21-16(25-17)18-6-11-3-12(7-18)5-13(4-11)8-18/h11-13H,3-8H2,1-2H3,(H,20,22,23)
InChIKeyGUYAVXAFZJXZHX-UHFFFAOYSA-N
XLogP4.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 112793296) is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)s1.
What is the InChIKey of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GUYAVXAFZJXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-9-14(24-10(2)19-9)15(23)20-17-22-21-16(25-17)18-6-11-3-12(7-18)5-13(4-11)8-18/h11-13H,3-8H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 374.54 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112793296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).