2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone

C16H18N2OS — CID 62751139

IUPAC2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCN(CC1CC1)c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C16H18N2OS/c1-18(10-12-7-8-12)16-17-14(11-20-16)9-15(19)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyRNGGETSSPCRWHX-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 62751139) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID62751139
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCN(CC1CC1)c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C16H18N2OS/c1-18(10-12-7-8-12)16-17-14(11-20-16)9-15(19)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyRNGGETSSPCRWHX-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62756542
2-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80576870
3-[2-[cyclohexylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487127
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
CID 62367219
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
1-[2-[cyclopentylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544442
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62755289
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62757081
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 104806296
3-[2-[methyl(oxan-3-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone (CID 62751139) is 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone is CN(CC1CC1)c1nc(CC(=O)c2ccccc2)cs1.
What is the InChIKey of 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is RNGGETSSPCRWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-18(10-12-7-8-12)16-17-14(11-20-16)9-15(19)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 286.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 62751139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).