(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone

C18H20N4OS — CID 155533168

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)s1
InChIInChI=1S/C18H20N4OS/c1-11-17(24-12(2)20-11)18(23)22-8-4-5-13(10-22)15-9-16-14(21-15)6-3-7-19-16/h3,6-7,9,13,21H,4-5,8,10H2,1-2H3
InChIKeySVXYTKADSQTWFY-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.66
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155533168) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155533168
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)s1
InChIInChI=1S/C18H20N4OS/c1-11-17(24-12(2)20-11)18(23)22-8-4-5-13(10-22)15-9-16-14(21-15)6-3-7-19-16/h3,6-7,9,13,21H,4-5,8,10H2,1-2H3
InChIKeySVXYTKADSQTWFY-UHFFFAOYSA-N
XLogP3.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236393
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125022774
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95850835
(4-methoxy-1-methylindol-2-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236417
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 70781087
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72837835

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 155533168) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SVXYTKADSQTWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-17(24-12(2)20-11)18(23)22-8-4-5-13(10-22)15-9-16-14(21-15)6-3-7-19-16/h3,6-7,9,13,21H,4-5,8,10H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155533168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).