2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine

C13H20N4S — CID 66402097

IUPAC2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCc1ncc(Cn2ccnc2CNCC(C)C)s1
InChIInChI=1S/C13H20N4S/c1-10(2)6-14-8-13-15-4-5-17(13)9-12-7-16-11(3)18-12/h4-5,7,10,14H,6,8-9H2,1-3H3
InChIKeyZHILWYZYTGTRGI-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.44
Rot. Bonds6

About 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 66402097) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID66402097
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCc1ncc(Cn2ccnc2CNCC(C)C)s1
InChIInChI=1S/C13H20N4S/c1-10(2)6-14-8-13-15-4-5-17(13)9-12-7-16-11(3)18-12/h4-5,7,10,14H,6,8-9H2,1-3H3
InChIKeyZHILWYZYTGTRGI-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 66402097) is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is Cc1ncc(Cn2ccnc2CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is ZHILWYZYTGTRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10(2)6-14-8-13-15-4-5-17(13)9-12-7-16-11(3)18-12/h4-5,7,10,14H,6,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66402097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).