N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C20H24N2OS2 — CID 18284901

IUPACN-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2OS2/c1-12-17(25-19(22-12)16-3-2-4-24-16)18(23)21-11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-11H2,1H3,(H,21,23)
InChIKeySXKZOOYKBZPOMH-UHFFFAOYSA-N
MW372.56 g/mol
LogP5.13
Rot. Bonds4

About N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 18284901) has the molecular formula C20H24N2OS2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID18284901
Molecular FormulaC20H24N2OS2
Molecular Weight372.56 g/mol
Exact Mass372.13
IUPAC NameN-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2OS2/c1-12-17(25-19(22-12)16-3-2-4-24-16)18(23)21-11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-11H2,1H3,(H,21,23)
InChIKeySXKZOOYKBZPOMH-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
2-methoxy-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 106107082
N-[(3-bromophenyl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55577849
N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103861966
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39985317
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42947638

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 18284901) is N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SXKZOOYKBZPOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS2/c1-12-17(25-19(22-12)16-3-2-4-24-16)18(23)21-11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-11H2,1H3,(H,21,23).
What are the key properties of N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18284901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).