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

C12H18N4S — CID 66149261

IUPACN-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1csc(Cn2cncc2CNC(C)C)n1
InChIInChI=1S/C12H18N4S/c1-9(2)14-5-11-4-13-8-16(11)6-12-15-10(3)7-17-12/h4,7-9,14H,5-6H2,1-3H3
InChIKeyVZSUBCJGNTVFMD-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.19
Rot. Bonds5

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

N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66149261) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66149261
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1csc(Cn2cncc2CNC(C)C)n1
InChIInChI=1S/C12H18N4S/c1-9(2)14-5-11-4-13-8-16(11)6-12-15-10(3)7-17-12/h4,7-9,14H,5-6H2,1-3H3
InChIKeyVZSUBCJGNTVFMD-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114704901
N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149306
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 102969605
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66152219
N-[[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149748
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131187
N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149938
1-(3-methylimidazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62998460
N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66147990
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66140209

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66149261) is N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is Cc1csc(Cn2cncc2CNC(C)C)n1.
What is the InChIKey of N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is VZSUBCJGNTVFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)14-5-11-4-13-8-16(11)6-12-15-10(3)7-17-12/h4,7-9,14H,5-6H2,1-3H3.
What are the key properties of N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66149261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).