N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C24H30N6OS — CID 45242762

IUPACN-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)N(Cc1nccn1C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12
InChIInChI=1S/C24H30N6OS/c1-18(2)29(17-21-25-11-13-27(21)3)16-20-22(26-24-30(20)14-15-32-24)23(31)28(4)12-10-19-8-6-5-7-9-19/h5-9,11,13-15,18H,10,12,16-17H2,1-4H3
InChIKeyFJJMKBYNXSKDBK-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.85
Rot. Bonds9

About N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 45242762) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID45242762
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC NameN-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)N(Cc1nccn1C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12
InChIInChI=1S/C24H30N6OS/c1-18(2)29(17-21-25-11-13-27(21)3)16-20-22(26-24-30(20)14-15-32-24)23(31)28(4)12-10-19-8-6-5-7-9-19/h5-9,11,13-15,18H,10,12,16-17H2,1-4H3
InChIKeyFJJMKBYNXSKDBK-UHFFFAOYSA-N
XLogP3.85
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 25286754
5-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95558896
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56869710
N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56880789
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56863269
N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 28665933
2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
CID 60840145
N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45231682
3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42596863
3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95555697

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 45242762) is N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is CC(C)N(Cc1nccn1C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12.
What is the InChIKey of N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is FJJMKBYNXSKDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-18(2)29(17-21-25-11-13-27(21)3)16-20-22(26-24-30(20)14-15-32-24)23(31)28(4)12-10-19-8-6-5-7-9-19/h5-9,11,13-15,18H,10,12,16-17H2,1-4H3.
What are the key properties of N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 45242762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).