2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole

C14H16N2S — CID 163230344

IUPAC2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
SMILESCc1ncc(-c2ccc(N3CCCC3)cc2)s1
InChIInChI=1S/C14H16N2S/c1-11-15-10-14(17-11)12-4-6-13(7-5-12)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyGTCCQAYBSNNXJY-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.72
Rot. Bonds2

About 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole

2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole (PubChem CID 163230344) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
PubChem CID163230344
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
SMILESCc1ncc(-c2ccc(N3CCCC3)cc2)s1
InChIInChI=1S/C14H16N2S/c1-11-15-10-14(17-11)12-4-6-13(7-5-12)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyGTCCQAYBSNNXJY-UHFFFAOYSA-N
XLogP3.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
CID 163230037
5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole
CID 67394717
1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine
CID 155673275
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 166839592
[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid
CID 174188565
4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839576
4-[5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-1,3-thiazol-2-yl]-3-methylbenzonitrile
CID 144828100
4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole (CID 163230344) is 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole is Cc1ncc(-c2ccc(N3CCCC3)cc2)s1.
What is the InChIKey of 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole?
The InChIKey is GTCCQAYBSNNXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11-15-10-14(17-11)12-4-6-13(7-5-12)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole?
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 163230344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).