N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C12H18N4S — CID 62447940

IUPACN-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(Cn2ccnc2)cs1
InChIInChI=1S/C12H18N4S/c1-10(2)5-14-6-12-15-11(8-17-12)7-16-4-3-13-9-16/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyFSOGSXQZDVBBJP-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.13
Rot. Bonds6

About N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62447940) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62447940
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(Cn2ccnc2)cs1
InChIInChI=1S/C12H18N4S/c1-10(2)5-14-6-12-15-11(8-17-12)7-16-4-3-13-9-16/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyFSOGSXQZDVBBJP-UHFFFAOYSA-N
XLogP2.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62418455
2-methyl-N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 103503363
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 83222111
2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63024495
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
CID 62439248
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 83044336
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62426511
N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62448133
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671
N-[[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459461

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 62447940) is N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(Cn2ccnc2)cs1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FSOGSXQZDVBBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-10(2)5-14-6-12-15-11(8-17-12)7-16-4-3-13-9-16/h3-4,8-10,14H,5-7H2,1-2H3.
What are the key properties of N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62447940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).