5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine

C18H19N3OS — CID 82186093

IUPAC5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCCOc1ccc(Cc2sc(N)nc2-c2ccccn2)cc1
InChIInChI=1S/C18H19N3OS/c1-2-11-22-14-8-6-13(7-9-14)12-16-17(21-18(19)23-16)15-5-3-4-10-20-15/h3-10H,2,11-12H2,1H3,(H2,19,21)
InChIKeyVZOFDLMDNUYLPO-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.17
Rot. Bonds6

About 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine

5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 82186093) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID82186093
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCCOc1ccc(Cc2sc(N)nc2-c2ccccn2)cc1
InChIInChI=1S/C18H19N3OS/c1-2-11-22-14-8-6-13(7-9-14)12-16-17(21-18(19)23-16)15-5-3-4-10-20-15/h3-10H,2,11-12H2,1H3,(H2,19,21)
InChIKeyVZOFDLMDNUYLPO-UHFFFAOYSA-N
XLogP4.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 82186086
5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43431842
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975865
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
5-[(4-benzylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80601681
N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 28614976
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
CID 141313794
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
CID 58250586
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 82186093) is 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine is CCCOc1ccc(Cc2sc(N)nc2-c2ccccn2)cc1.
What is the InChIKey of 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is VZOFDLMDNUYLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-11-22-14-8-6-13(7-9-14)12-16-17(21-18(19)23-16)15-5-3-4-10-20-15/h3-10H,2,11-12H2,1H3,(H2,19,21).
What are the key properties of 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 325.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82186093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).