N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide

C14H23N5OS — CID 63058784

IUPACN-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1nc2sccn2c1CNCC(C)C
InChIInChI=1S/C14H23N5OS/c1-10(2)7-16-8-11-13(18(4)9-12(20)15-3)17-14-19(11)5-6-21-14/h5-6,10,16H,7-9H2,1-4H3,(H,15,20)
InChIKeyJGHXHTCAWULKNL-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.32
Rot. Bonds7

About N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide

N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide (PubChem CID 63058784) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
PubChem CID63058784
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1nc2sccn2c1CNCC(C)C
InChIInChI=1S/C14H23N5OS/c1-10(2)7-16-8-11-13(18(4)9-12(20)15-3)17-14-19(11)5-6-21-14/h5-6,10,16H,7-9H2,1-4H3,(H,15,20)
InChIKeyJGHXHTCAWULKNL-UHFFFAOYSA-N
XLogP1.32
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 63059665
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
N-methyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476472
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63071941
N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63806411
N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79850296
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61448953
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-methylacetamide;hydrochloride
CID 115599070
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide (CID 63058784) is N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide is CNC(=O)CN(C)c1nc2sccn2c1CNCC(C)C.
What is the InChIKey of N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
The InChIKey is JGHXHTCAWULKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10(2)7-16-8-11-13(18(4)9-12(20)15-3)17-14-19(11)5-6-21-14/h5-6,10,16H,7-9H2,1-4H3,(H,15,20).
What are the key properties of N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide is sourced from PubChem (CID 63058784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).