5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C15H21N3OS — CID 103359743

IUPAC5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCc1ccccc1CNc1snc(N)c1OC(C)C
InChIInChI=1S/C15H21N3OS/c1-4-11-7-5-6-8-12(11)9-17-15-13(19-10(2)3)14(16)18-20-15/h5-8,10,17H,4,9H2,1-3H3,(H2,16,18)
InChIKeyCDMWORIUHVAGMT-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.69
Rot. Bonds6

About 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103359743) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103359743
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCc1ccccc1CNc1snc(N)c1OC(C)C
InChIInChI=1S/C15H21N3OS/c1-4-11-7-5-6-8-12(11)9-17-15-13(19-10(2)3)14(16)18-20-15/h5-8,10,17H,4,9H2,1-3H3,(H2,16,18)
InChIKeyCDMWORIUHVAGMT-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 106044474
4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103364258
4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359486
5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361012
1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
CID 103365683
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103365233
5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359401
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360909
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116
5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360130
5-(2,2-dimethylhydrazinyl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364840

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103359743) is 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CCc1ccccc1CNc1snc(N)c1OC(C)C.
What is the InChIKey of 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is CDMWORIUHVAGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-11-7-5-6-8-12(11)9-17-15-13(19-10(2)3)14(16)18-20-15/h5-8,10,17H,4,9H2,1-3H3,(H2,16,18).
What are the key properties of 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).