4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole

C18H20N4S — CID 95322878

IUPAC4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCn1cc([C@@H]2CCCN2Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C18H20N4S/c1-21-11-15(10-19-21)17-8-5-9-22(17)12-16-13-23-18(20-16)14-6-3-2-4-7-14/h2-4,6-7,10-11,13,17H,5,8-9,12H2,1H3/t17-/m0/s1
InChIKeyXAHUAMLQZNBALL-KRWDZBQOSA-N
MW324.45 g/mol
LogP3.88
Rot. Bonds4

About 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole

4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole (PubChem CID 95322878) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
PubChem CID95322878
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCn1cc([C@@H]2CCCN2Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C18H20N4S/c1-21-11-15(10-19-21)17-8-5-9-22(17)12-16-13-23-18(20-16)14-6-3-2-4-7-14/h2-4,6-7,10-11,13,17H,5,8-9,12H2,1H3/t17-/m0/s1
InChIKeyXAHUAMLQZNBALL-KRWDZBQOSA-N
XLogP3.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95570889
4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 56825237
2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 134050920
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56825307
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95570862
2-(1-methylpyrazol-4-yl)-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56780516
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 95327926
2-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 95326229
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
CID 71259693
2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 95569682

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole (CID 95322878) is 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole is Cn1cc([C@@H]2CCCN2Cc2csc(-c3ccccc3)n2)cn1.
What is the InChIKey of 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The InChIKey is XAHUAMLQZNBALL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4S/c1-21-11-15(10-19-21)17-8-5-9-22(17)12-16-13-23-18(20-16)14-6-3-2-4-7-14/h2-4,6-7,10-11,13,17H,5,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole has a molecular weight of 324.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 95322878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).