[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C19H24N6OS — CID 56876633

IUPAC[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(CN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C2CC2)cn1
InChIInChI=1S/C19H24N6OS/c1-22-11-14(10-20-22)12-24(15-4-5-15)13-16-17(18(26)23-6-2-3-7-23)21-19-25(16)8-9-27-19/h8-11,15H,2-7,12-13H2,1H3
InChIKeyICXMVFBLUJKVDC-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.53
Rot. Bonds6

About [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56876633) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID56876633
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(CN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C2CC2)cn1
InChIInChI=1S/C19H24N6OS/c1-22-11-14(10-20-22)12-24(15-4-5-15)13-16-17(18(26)23-6-2-3-7-23)21-19-25(16)8-9-27-19/h8-11,15H,2-7,12-13H2,1H3
InChIKeyICXMVFBLUJKVDC-UHFFFAOYSA-N
XLogP2.53
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 53559119
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56780198
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
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56312970
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78901795
1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N-{[6-(1-pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}methanamine
CID 25278294
2,2-dimethyl-N-(1-{1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)propanamide
CID 25286412
N-[(6-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 25755778
N-[(6-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 28346814
N-methyl-2-(1-methyl-1H-pyrazol-4-yl)-N-{[6-(1-piperidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}ethanamine
CID 28731607
5-({4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}methyl)-6-(1-pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazole
CID 28953257

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 56876633) is [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is Cn1cc(CN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C2CC2)cn1.
What is the InChIKey of [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ICXMVFBLUJKVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-22-11-14(10-20-22)12-24(15-4-5-15)13-16-17(18(26)23-6-2-3-7-23)21-19-25(16)8-9-27-19/h8-11,15H,2-7,12-13H2,1H3.
What are the key properties of [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 384.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56876633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).