2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane

C22H35N3O2S — CID 154668569

IUPAC2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane
SMILESCCC(C)OC(C)CC(C)C.Cc1cccc(-c2csc(NC(=O)CN)n2)c1
InChIInChI=1S/C12H13N3OS.C10H22O/c1-8-3-2-4-9(5-8)10-7-17-12(14-10)15-11(16)6-13;1-6-9(4)11-10(5)7-8(2)3/h2-5,7H,6,13H2,1H3,(H,14,15,16);8-10H,6-7H2,1-5H3
InChIKeyJIAYSOGVNYAOOA-UHFFFAOYSA-N
MW405.61 g/mol
LogP5.25
Rot. Bonds8

About 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane

2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane (PubChem CID 154668569) has the molecular formula C22H35N3O2S and a molecular weight of 405.61 g/mol. Its IUPAC name is 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane.

Molecular Properties

Compound Name2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane
PubChem CID154668569
Molecular FormulaC22H35N3O2S
Molecular Weight405.61 g/mol
Exact Mass405.24
IUPAC Name2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane
SMILESCCC(C)OC(C)CC(C)C.Cc1cccc(-c2csc(NC(=O)CN)n2)c1
InChIInChI=1S/C12H13N3OS.C10H22O/c1-8-3-2-4-9(5-8)10-7-17-12(14-10)15-11(16)6-13;1-6-9(4)11-10(5)7-8(2)3/h2-5,7H,6,13H2,1H3,(H,14,15,16);8-10H,6-7H2,1-5H3
InChIKeyJIAYSOGVNYAOOA-UHFFFAOYSA-N
XLogP5.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane
CID 154666882
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 39177422
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
ethyl 3-[[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 164907004
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
(2S)-2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 154668589
2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 155026660
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154669651

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane?
The IUPAC name of 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane (CID 154668569) is 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane.
What is the SMILES notation for 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane?
The canonical SMILES for 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane is CCC(C)OC(C)CC(C)C.Cc1cccc(-c2csc(NC(=O)CN)n2)c1.
What is the InChIKey of 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane?
The InChIKey is JIAYSOGVNYAOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS.C10H22O/c1-8-3-2-4-9(5-8)10-7-17-12(14-10)15-11(16)6-13;1-6-9(4)11-10(5)7-8(2)3/h2-5,7H,6,13H2,1H3,(H,14,15,16);8-10H,6-7H2,1-5H3.
What are the key properties of 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane?
2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane has a molecular weight of 405.61 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane is sourced from PubChem (CID 154668569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).