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

C16H23N3OS — CID 141421069

IUPAC2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H23N3OS/c1-10-9-21-15(18-10)19-14(20)8-17-16-5-11-2-12(6-16)4-13(3-11)7-16/h9,11-13,17H,2-8H2,1H3,(H,18,19,20)
InChIKeyBTTLPGUKFSVQPN-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.95
Rot. Bonds4

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

2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 141421069) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID141421069
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H23N3OS/c1-10-9-21-15(18-10)19-14(20)8-17-16-5-11-2-12(6-16)4-13(3-11)7-16/h9,11-13,17H,2-8H2,1H3,(H,18,19,20)
InChIKeyBTTLPGUKFSVQPN-UHFFFAOYSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 141421069) is 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BTTLPGUKFSVQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10-9-21-15(18-10)19-14(20)8-17-16-5-11-2-12(6-16)4-13(3-11)7-16/h9,11-13,17H,2-8H2,1H3,(H,18,19,20).
What are the key properties of 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 141421069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).