N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

C20H30N4OS — CID 42598015

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1
InChIInChI=1S/C20H30N4OS/c1-23-2-4-24(5-3-23)12-18(25)22-19-21-17(13-26-19)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,2-12H2,1H3,(H,21,22,25)
InChIKeyNWMTXPXFLDKJKF-UHFFFAOYSA-N
MW374.55 g/mol
LogP2.80
Rot. Bonds4

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 42598015) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID42598015
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1
InChIInChI=1S/C20H30N4OS/c1-23-2-4-24(5-3-23)12-18(25)22-19-21-17(13-26-19)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,2-12H2,1H3,(H,21,22,25)
InChIKeyNWMTXPXFLDKJKF-UHFFFAOYSA-N
XLogP2.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2870842
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CID 2870779
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CID 23761567
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CID 24102945
CID 24102945
CID 118726229
CID 118726229
CID 4838460
CID 4838460
CID 2870807
CID 2870807
CID 2870837
CID 2870837
CID 2834326
CID 2834326
CID 24575844
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CID 42597776
CID 42597776

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 42598015) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is NWMTXPXFLDKJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-23-2-4-24(5-3-23)12-18(25)22-19-21-17(13-26-19)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,2-12H2,1H3,(H,21,22,25).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 374.55 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 42598015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).