2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide

C15H24N2OS — CID 100629634

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide
SMILESCCC[C@H]1C[C@H]1NC(=O)Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H24N2OS/c1-5-6-10-7-12(10)17-13(18)8-11-9-19-14(16-11)15(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,17,18)/t10-,12+/m0/s1
InChIKeyNGIYRDKAOCIZIH-CMPLNLGQSA-N
MW280.44 g/mol
LogP3.29
Rot. Bonds5

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide (PubChem CID 100629634) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide
PubChem CID100629634
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide
SMILESCCC[C@H]1C[C@H]1NC(=O)Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H24N2OS/c1-5-6-10-7-12(10)17-13(18)8-11-9-19-14(16-11)15(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,17,18)/t10-,12+/m0/s1
InChIKeyNGIYRDKAOCIZIH-CMPLNLGQSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119479070
N-[(3R,4S)-1-(2-hydroxyethyl)-4-propylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 72930062
2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224216
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103812762
(2S,3S)-2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194455
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445318
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 95773781
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide (CID 100629634) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide is CCC[C@H]1C[C@H]1NC(=O)Cc1csc(C(C)(C)C)n1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide?
The InChIKey is NGIYRDKAOCIZIH-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-6-10-7-12(10)17-13(18)8-11-9-19-14(16-11)15(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,17,18)/t10-,12+/m0/s1.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide has a molecular weight of 280.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide is sourced from PubChem (CID 100629634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).