1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

C14H16F2N2O2S — CID 61221726

IUPAC1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCOc1cc(CNCc2cscn2)ccc1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-2-19-13-5-10(3-4-12(13)20-14(15)16)6-17-7-11-8-21-9-18-11/h3-5,8-9,14,17H,2,6-7H2,1H3
InChIKeyNQPOJVBCIRNZCF-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.43
Rot. Bonds8

About 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 61221726) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID61221726
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCOc1cc(CNCc2cscn2)ccc1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-2-19-13-5-10(3-4-12(13)20-14(15)16)6-17-7-11-8-21-9-18-11/h3-5,8-9,14,17H,2,6-7H2,1H3
InChIKeyNQPOJVBCIRNZCF-UHFFFAOYSA-N
XLogP3.43
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 78895511
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 60999901
1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropanenitrile
CID 62646901
3-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 120509977
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656067
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594079
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 61221726) is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is CCOc1cc(CNCc2cscn2)ccc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is NQPOJVBCIRNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-2-19-13-5-10(3-4-12(13)20-14(15)16)6-17-7-11-8-21-9-18-11/h3-5,8-9,14,17H,2,6-7H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 314.36 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61221726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).