4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole

C21H24N2O2S — CID 40898224

IUPAC4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(-c2cc(C)n(C[C@H]3CCCO3)c2C)cs1
InChIInChI=1S/C21H24N2O2S/c1-14-11-18(15(2)23(14)12-16-7-6-10-25-16)19-13-26-21(22-19)17-8-4-5-9-20(17)24-3/h4-5,8-9,11,13,16H,6-7,10,12H2,1-3H3/t16-/m1/s1
InChIKeyNTXJDSLJQRQKPP-MRXNPFEDSA-N
MW368.50 g/mol
LogP5.08
Rot. Bonds5

About 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole

4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 40898224) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID40898224
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(-c2cc(C)n(C[C@H]3CCCO3)c2C)cs1
InChIInChI=1S/C21H24N2O2S/c1-14-11-18(15(2)23(14)12-16-7-6-10-25-16)19-13-26-21(22-19)17-8-4-5-9-20(17)24-3/h4-5,8-9,11,13,16H,6-7,10,12H2,1-3H3/t16-/m1/s1
InChIKeyNTXJDSLJQRQKPP-MRXNPFEDSA-N
XLogP5.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 9292151
N-benzyl-4-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 2511300
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 8965050
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51259859
N-[4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 26635686
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-methoxybenzoate
CID 2653723
N-[4-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17406019
N-[4-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16597913
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2659415
(E)-N-[4-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 2114553
4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23933201
3-[[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154391

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole (CID 40898224) is 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1nc(-c2cc(C)n(C[C@H]3CCCO3)c2C)cs1.
What is the InChIKey of 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is NTXJDSLJQRQKPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14-11-18(15(2)23(14)12-16-7-6-10-25-16)19-13-26-21(22-19)17-8-4-5-9-20(17)24-3/h4-5,8-9,11,13,16H,6-7,10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole?
4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 368.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 40898224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).