4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

C17H22N2OS — CID 62540561

IUPAC4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2csc(CC3CCCN3)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)20-15-7-5-13(6-8-15)16-11-21-17(19-16)10-14-4-3-9-18-14/h5-8,11-12,14,18H,3-4,9-10H2,1-2H3
InChIKeyAZMCQTFFZITKNS-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.89
Rot. Bonds5

About 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 62540561) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID62540561
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2csc(CC3CCCN3)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)20-15-7-5-13(6-8-15)16-11-21-17(19-16)10-14-4-3-9-18-14/h5-8,11-12,14,18H,3-4,9-10H2,1-2H3
InChIKeyAZMCQTFFZITKNS-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 116969959
4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62541257
4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 79817603
4-(5-bromo-2-fluorophenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 82967016
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 62540561) is 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is CC(C)Oc1ccc(-c2csc(CC3CCCN3)n2)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is AZMCQTFFZITKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)20-15-7-5-13(6-8-15)16-11-21-17(19-16)10-14-4-3-9-18-14/h5-8,11-12,14,18H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 302.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 62540561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).