2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole

C15H18N2S — CID 22197561

IUPAC2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCCC3)cs2)c1
InChIInChI=1S/C15H18N2S/c1-12-5-4-6-13(9-12)15-16-14(11-18-15)10-17-7-2-3-8-17/h4-6,9,11H,2-3,7-8,10H2,1H3
InChIKeyNRKYEFDVYCSPSB-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.71
Rot. Bonds3

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

2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (PubChem CID 22197561) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
PubChem CID22197561
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCCC3)cs2)c1
InChIInChI=1S/C15H18N2S/c1-12-5-4-6-13(9-12)15-16-14(11-18-15)10-17-7-2-3-8-17/h4-6,9,11H,2-3,7-8,10H2,1H3
InChIKeyNRKYEFDVYCSPSB-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 110333427
4-(azocan-1-ylmethyl)-2-[3-(2,3,4-trimethoxyphenyl)phenyl]-1,3-thiazole
CID 46100892
2-(3-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463181
4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
3-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]aniline
CID 58107329
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (CID 22197561) is 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is Cc1cccc(-c2nc(CN3CCCC3)cs2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is NRKYEFDVYCSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-12-5-4-6-13(9-12)15-16-14(11-18-15)10-17-7-2-3-8-17/h4-6,9,11H,2-3,7-8,10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 258.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 22197561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).