2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone

C16H18N2OS — CID 62756542

IUPAC2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCCN(c1nc(CC(=O)c2ccccc2)cs1)C1CC1
InChIInChI=1S/C16H18N2OS/c1-2-18(14-8-9-14)16-17-13(11-20-16)10-15(19)12-6-4-3-5-7-12/h3-7,11,14H,2,8-10H2,1H3
InChIKeyQIFNGOXSPYCHII-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 62756542) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID62756542
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCCN(c1nc(CC(=O)c2ccccc2)cs1)C1CC1
InChIInChI=1S/C16H18N2OS/c1-2-18(14-8-9-14)16-17-13(11-20-16)10-15(19)12-6-4-3-5-7-12/h3-7,11,14H,2,8-10H2,1H3
InChIKeyQIFNGOXSPYCHII-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62751139
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide
CID 59542700
4-benzyl-5-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylpentan-2-one
CID 143695995
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide
CID 90829902
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
CID 62367219
4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112132
N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide
CID 59542756
3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 62961345
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide
CID 59542657
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62755289
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone (CID 62756542) is 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone is CCN(c1nc(CC(=O)c2ccccc2)cs1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is QIFNGOXSPYCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-18(14-8-9-14)16-17-13(11-20-16)10-15(19)12-6-4-3-5-7-12/h3-7,11,14H,2,8-10H2,1H3.
What are the key properties of 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 286.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 62756542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).