(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

C14H19N3O2S — CID 105168313

IUPAC(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2snnc2C(C)C)c1
InChIInChI=1S/C14H19N3O2S/c1-8(2)13-14(20-17-16-13)12(15)9-5-10(18-3)7-11(6-9)19-4/h5-8,12H,15H2,1-4H3
InChIKeyAPLHMRCSOMBXEC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.73
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105168313) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105168313
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2snnc2C(C)C)c1
InChIInChI=1S/C14H19N3O2S/c1-8(2)13-14(20-17-16-13)12(15)9-5-10(18-3)7-11(6-9)19-4/h5-8,12H,15H2,1-4H3
InChIKeyAPLHMRCSOMBXEC-UHFFFAOYSA-N
XLogP2.73
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105114504
(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105175454
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145823
(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105176488
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105141412
(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105082992
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
[(2,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105305151
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105179103
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105168313) is (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is COc1cc(OC)cc(C(N)c2snnc2C(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is APLHMRCSOMBXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8(2)13-14(20-17-16-13)12(15)9-5-10(18-3)7-11(6-9)19-4/h5-8,12H,15H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 293.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105168313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).