N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C15H22N2OS — CID 107153725

IUPACN-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1ccccc1NC1=NCC(CC(C)C)S1
InChIInChI=1S/C15H22N2OS/c1-4-18-14-8-6-5-7-13(14)17-15-16-10-12(19-15)9-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyXTOAQVXHYVJMPW-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.01
Rot. Bonds5

About N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153725) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153725
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1ccccc1NC1=NCC(CC(C)C)S1
InChIInChI=1S/C15H22N2OS/c1-4-18-14-8-6-5-7-13(14)17-15-16-10-12(19-15)9-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyXTOAQVXHYVJMPW-UHFFFAOYSA-N
XLogP4.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154120
(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345411
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361017
N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106014089
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153929
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
CID 115920665
5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296331
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96663796

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153725) is N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCOc1ccccc1NC1=NCC(CC(C)C)S1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XTOAQVXHYVJMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-18-14-8-6-5-7-13(14)17-15-16-10-12(19-15)9-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 278.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).