3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C17H25N3OS — CID 141421067

IUPAC3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCNC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H25N3OS/c1-11-10-22-16(19-11)20-15(21)2-3-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14,18H,2-9H2,1H3,(H,19,20,21)
InChIKeyHSJREVXELSRYRT-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.34
Rot. Bonds5

About 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 141421067) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID141421067
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCNC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H25N3OS/c1-11-10-22-16(19-11)20-15(21)2-3-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14,18H,2-9H2,1H3,(H,19,20,21)
InChIKeyHSJREVXELSRYRT-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 141421067) is 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCNC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is HSJREVXELSRYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-11-10-22-16(19-11)20-15(21)2-3-18-17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14,18H,2-9H2,1H3,(H,19,20,21).
What are the key properties of 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 319.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 141421067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).