1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

C14H16Cl2N2O2S — CID 61043126

IUPAC1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N2O2S/c1-9-8-21-14(18-9)6-17-5-11(19)7-20-13-3-2-10(15)4-12(13)16/h2-4,8,11,17,19H,5-7H2,1H3
InChIKeyDVJWXDNMUUKRFD-UHFFFAOYSA-N
MW347.27 g/mol
LogP3.29
Rot. Bonds7

About 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 61043126) has the molecular formula C14H16Cl2N2O2S and a molecular weight of 347.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID61043126
Molecular FormulaC14H16Cl2N2O2S
Molecular Weight347.27 g/mol
Exact Mass346.03
IUPAC Name1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N2O2S/c1-9-8-21-14(18-9)6-17-5-11(19)7-20-13-3-2-10(15)4-12(13)16/h2-4,8,11,17,19H,5-7H2,1H3
InChIKeyDVJWXDNMUUKRFD-UHFFFAOYSA-N
XLogP3.29
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043492
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106401068
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 61043126) is 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is Cc1csc(CNCC(O)COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is DVJWXDNMUUKRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2S/c1-9-8-21-14(18-9)6-17-5-11(19)7-20-13-3-2-10(15)4-12(13)16/h2-4,8,11,17,19H,5-7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol has a molecular weight of 347.27 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61043126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).