1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone

C9H14N2OS — CID 13162299

IUPAC1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone
SMILESCCCNc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C9H14N2OS/c1-4-5-10-9-11-6(2)8(13-9)7(3)12/h4-5H2,1-3H3,(H,10,11)
InChIKeyBSUXDPUUXITJSM-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.48
Rot. Bonds4

About 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 13162299) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID13162299
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone
SMILESCCCNc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C9H14N2OS/c1-4-5-10-9-11-6(2)8(13-9)7(3)12/h4-5H2,1-3H3,(H,10,11)
InChIKeyBSUXDPUUXITJSM-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Acetyl-2-amino-4-methylthiazole
CID 720882
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
CID 734076
1-[2-(2-Methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2440370
N-(5-Acetyl-4-methyl-thiazol-2-yl)-2,2-dimethyl-propionamide
CID 733883
Ethanone, 1-[2-[(2-methoxy-1-methylethyl)amino]-4-methyl-5-thiazolyl]-
CID 4877770
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 830648
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-2-butenamide
CID 733793
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
CID 734580
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 4457143
disodium;N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phosphonatoacetamide
CID 53317820
disodium;N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-phosphonatopropanamide
CID 73348998
1-(2-Amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 12236850

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone (CID 13162299) is 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone is CCCNc1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is BSUXDPUUXITJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-5-10-9-11-6(2)8(13-9)7(3)12/h4-5H2,1-3H3,(H,10,11).
What are the key properties of 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 198.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 13162299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).