N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C9H14N2OS — CID 2304059

IUPACN-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(C(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-5(2)8-6(3)10-9(13-8)11-7(4)12/h5H,1-4H3,(H,10,11,12)
InChIKeyHSMQANCESAIIRC-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.53
Rot. Bonds2

About N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide

N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 2304059) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID2304059
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(C(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-5(2)8-6(3)10-9(13-8)11-7(4)12/h5H,1-4H3,(H,10,11,12)
InChIKeyHSMQANCESAIIRC-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 2304059) is N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(C)c(C(C)C)s1.
What is the InChIKey of N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HSMQANCESAIIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-5(2)8-6(3)10-9(13-8)11-7(4)12/h5H,1-4H3,(H,10,11,12).
What are the key properties of N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 198.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2304059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).