N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine

C12H15N5S — CID 103851404

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
SMILESCc1c(CNCc2cn3ccsc3n2)cnn1C
InChIInChI=1S/C12H15N5S/c1-9-10(6-14-16(9)2)5-13-7-11-8-17-3-4-18-12(17)15-11/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyLQLCFCHAHFYAEL-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.73
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine (PubChem CID 103851404) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
PubChem CID103851404
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
SMILESCc1c(CNCc2cn3ccsc3n2)cnn1C
InChIInChI=1S/C12H15N5S/c1-9-10(6-14-16(9)2)5-13-7-11-8-17-3-4-18-12(17)15-11/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyLQLCFCHAHFYAEL-UHFFFAOYSA-N
XLogP1.73
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 113289386
1-(1,5-dimethylpyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174084
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115331528
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686128
1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 154872775
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 106371046
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine (CID 103851404) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine is Cc1c(CNCc2cn3ccsc3n2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The InChIKey is LQLCFCHAHFYAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-9-10(6-14-16(9)2)5-13-7-11-8-17-3-4-18-12(17)15-11/h3-4,6,8,13H,5,7H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine has a molecular weight of 261.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine is sourced from PubChem (CID 103851404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).