N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide

C18H25N3OS — CID 50967597

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)C(C)c1nccs1
InChIInChI=1S/C18H25N3OS/c1-12(2)15-8-6-7-13(3)17(15)20-16(22)11-21(5)14(4)18-19-9-10-23-18/h6-10,12,14H,11H2,1-5H3,(H,20,22)
InChIKeyKTKKOQOSLBHSBS-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.21
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide (PubChem CID 50967597) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
PubChem CID50967597
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)C(C)c1nccs1
InChIInChI=1S/C18H25N3OS/c1-12(2)15-8-6-7-13(3)17(15)20-16(22)11-21(5)14(4)18-19-9-10-23-18/h6-10,12,14H,11H2,1-5H3,(H,20,22)
InChIKeyKTKKOQOSLBHSBS-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
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N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
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trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 118727639
(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166627233
(2S)-2-(5-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 168281165
1-[2,6-di(propan-2-yl)phenyl]-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]sulfonylurea
CID 142536251
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1,3-thiazole-2-carboxamide
CID 118307914
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1,3-thiazole-2-carboxamide
CID 118307953
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide (CID 50967597) is N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide is Cc1cccc(C(C)C)c1NC(=O)CN(C)C(C)c1nccs1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The InChIKey is KTKKOQOSLBHSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-12(2)15-8-6-7-13(3)17(15)20-16(22)11-21(5)14(4)18-19-9-10-23-18/h6-10,12,14H,11H2,1-5H3,(H,20,22).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide has a molecular weight of 331.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 50967597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).