4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C16H21N3O3S — CID 10544781

IUPAC4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCOc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC
InChIInChI=1S/C16H21N3O3S/c1-20-12-7-9(8-13(21-2)14(12)22-3)6-11-15-10(4-5-18-11)19-16(17)23-15/h7-8,11,18H,4-6H2,1-3H3,(H2,17,19)
InChIKeyWCLVWYZGFNFOGA-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.18
Rot. Bonds5

About 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 10544781) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID10544781
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCOc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC
InChIInChI=1S/C16H21N3O3S/c1-20-12-7-9(8-13(21-2)14(12)22-3)6-11-15-10(4-5-18-11)19-16(17)23-15/h7-8,11,18H,4-6H2,1-3H3,(H2,17,19)
InChIKeyWCLVWYZGFNFOGA-UHFFFAOYSA-N
XLogP2.18
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine with MolForge

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Related Compounds

N-[5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)thiazol-2-yl]acetamide
CID 9843101
4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylamine
CID 9958539
5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53380487
5-(4-Methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387889
5-(4-Ethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387890
5-[4-(Trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387891
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387892
5-(4-ethoxyphenyl)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 71461486
N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 4791502
Benzothiazol-2-yl-(3,4,5-trimethoxy-benzyl)-amine
CID 6489811
4-(4-Ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 118737480
4-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 122183262

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 10544781) is 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC.
What is the InChIKey of 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is WCLVWYZGFNFOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-20-12-7-9(8-13(21-2)14(12)22-3)6-11-15-10(4-5-18-11)19-16(17)23-15/h7-8,11,18H,4-6H2,1-3H3,(H2,17,19).
What are the key properties of 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 335.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 10544781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).