(3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C21H26N4S — CID 125051506

IUPAC(3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(C4CC4)c3C)N21
InChIInChI=1S/C21H26N4S/c1-4-15-12-26-21-23-19(18-7-5-6-10-22-18)20(25(15)21)17-11-13(2)24(14(17)3)16-8-9-16/h5-7,10-11,15-16,19-20H,4,8-9,12H2,1-3H3/t15-,19+,20+/m1/s1
InChIKeyDOGKQYFCXVLMDF-XPGWFJOJSA-N
MW366.53 g/mol
LogP4.81
Rot. Bonds4

About (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125051506) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125051506
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name(3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(C4CC4)c3C)N21
InChIInChI=1S/C21H26N4S/c1-4-15-12-26-21-23-19(18-7-5-6-10-22-18)20(25(15)21)17-11-13(2)24(14(17)3)16-8-9-16/h5-7,10-11,15-16,19-20H,4,8-9,12H2,1-3H3/t15-,19+,20+/m1/s1
InChIKeyDOGKQYFCXVLMDF-XPGWFJOJSA-N
XLogP4.81
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180776
(3R,5S,6R)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053323
5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180818
(3R,5S,6S)-5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056553
(3R,5S,6R)-3-ethyl-5-(2-methylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056927
5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180834
(3R,5S,6R)-5-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051900
(3R,5S,6S)-5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050950
5-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180816
(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125054654
(3R,5S,6S)-5-(2-bromophenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125054773
(3R,5S,6S)-3-ethyl-6-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052687

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125051506) is (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(C4CC4)c3C)N21.
What is the InChIKey of (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is DOGKQYFCXVLMDF-XPGWFJOJSA-N. The full InChI is InChI=1S/C21H26N4S/c1-4-15-12-26-21-23-19(18-7-5-6-10-22-18)20(25(15)21)17-11-13(2)24(14(17)3)16-8-9-16/h5-7,10-11,15-16,19-20H,4,8-9,12H2,1-3H3/t15-,19+,20+/m1/s1.
What are the key properties of (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 366.53 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125051506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).