2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole

C14H16N2S — CID 151399077

IUPAC2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
SMILESc1csc(-c2ccc(CN3CCCC3)cc2)n1
InChIInChI=1S/C14H16N2S/c1-2-9-16(8-1)11-12-3-5-13(6-4-12)14-15-7-10-17-14/h3-7,10H,1-2,8-9,11H2
InChIKeyOWCAAQNCMHJQSM-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.41
Rot. Bonds3

About 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole

2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole (PubChem CID 151399077) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
PubChem CID151399077
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
SMILESc1csc(-c2ccc(CN3CCCC3)cc2)n1
InChIInChI=1S/C14H16N2S/c1-2-9-16(8-1)11-12-3-5-13(6-4-12)14-15-7-10-17-14/h3-7,10H,1-2,8-9,11H2
InChIKeyOWCAAQNCMHJQSM-UHFFFAOYSA-N
XLogP3.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole
CID 166247279
2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
CID 69243244
3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
CID 138045615
2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline
CID 82152217
2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
CID 139682098
[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol
CID 136572670
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
CID 90956572
1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82242731
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole (CID 151399077) is 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole is c1csc(-c2ccc(CN3CCCC3)cc2)n1.
What is the InChIKey of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole?
The InChIKey is OWCAAQNCMHJQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-9-16(8-1)11-12-3-5-13(6-4-12)14-15-7-10-17-14/h3-7,10H,1-2,8-9,11H2.
What are the key properties of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole?
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 151399077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).