ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide

C12H24N2OS — CID 143669035

IUPACethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
SMILESCC.CC.CCCc1nc(CC(N)=O)cs1
InChIInChI=1S/C8H12N2OS.2C2H6/c1-2-3-8-10-6(5-12-8)4-7(9)11;2*1-2/h5H,2-4H2,1H3,(H2,9,11);2*1-2H3
InChIKeyKKJRRKLYRXMWNQ-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.18
Rot. Bonds4

About ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide

ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide (PubChem CID 143669035) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
PubChem CID143669035
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Nameethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
SMILESCC.CC.CCCc1nc(CC(N)=O)cs1
InChIInChI=1S/C8H12N2OS.2C2H6/c1-2-3-8-10-6(5-12-8)4-7(9)11;2*1-2/h5H,2-4H2,1H3,(H2,9,11);2*1-2H3
InChIKeyKKJRRKLYRXMWNQ-UHFFFAOYSA-N
XLogP3.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]acetamide
CID 82547698
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide (CID 143669035) is ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide is CC.CC.CCCc1nc(CC(N)=O)cs1.
What is the InChIKey of ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KKJRRKLYRXMWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.2C2H6/c1-2-3-8-10-6(5-12-8)4-7(9)11;2*1-2/h5H,2-4H2,1H3,(H2,9,11);2*1-2H3.
What are the key properties of ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide?
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 244.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 143669035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).