[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C19H26N6OS — CID 25278294

IUPAC[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1nc(C)c(CNCc2c(C(=O)N3CCCC3)nc3sccn23)c1C
InChIInChI=1S/C19H26N6OS/c1-4-25-14(3)15(13(2)22-25)11-20-12-16-17(18(26)23-7-5-6-8-23)21-19-24(16)9-10-27-19/h9-10,20H,4-8,11-12H2,1-3H3
InChIKeyFTTJYBANQPXFDY-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.75
Rot. Bonds6

About [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25278294) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID25278294
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1nc(C)c(CNCc2c(C(=O)N3CCCC3)nc3sccn23)c1C
InChIInChI=1S/C19H26N6OS/c1-4-25-14(3)15(13(2)22-25)11-20-12-16-17(18(26)23-7-5-6-8-23)21-19-24(16)9-10-27-19/h9-10,20H,4-8,11-12H2,1-3H3
InChIKeyFTTJYBANQPXFDY-UHFFFAOYSA-N
XLogP2.75
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50950166
6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 50953495
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50964579
N-cyclopropyl-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50984047
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56780202
6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 70727112
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-isopropyl-1H-pyrazole-4-carboxamide
CID 70728734
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043997
US9586962, Example 464
CID 70980948
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-{[6-(pyrrolidin-1-ylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}cyclopropanamine
CID 56876633
[5-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 56861053
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56312970

Frequently Asked Questions

What is the IUPAC name of [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 25278294) is [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is CCn1nc(C)c(CNCc2c(C(=O)N3CCCC3)nc3sccn23)c1C.
What is the InChIKey of [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FTTJYBANQPXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-4-25-14(3)15(13(2)22-25)11-20-12-16-17(18(26)23-7-5-6-8-23)21-19-24(16)9-10-27-19/h9-10,20H,4-8,11-12H2,1-3H3.
What are the key properties of [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 386.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25278294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).