[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine

C10H14N4S2 — CID 66378687

IUPAC[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
SMILESCc1ncsc1CNCc1csc(CN)n1
InChIInChI=1S/C10H14N4S2/c1-7-9(16-6-13-7)4-12-3-8-5-15-10(2-11)14-8/h5-6,12H,2-4,11H2,1H3
InChIKeyNCHIVAWXEXVHBZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.66
Rot. Bonds5

About [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine

[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 66378687) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID66378687
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
SMILESCc1ncsc1CNCc1csc(CN)n1
InChIInChI=1S/C10H14N4S2/c1-7-9(16-6-13-7)4-12-3-8-5-15-10(2-11)14-8/h5-6,12H,2-4,11H2,1H3
InChIKeyNCHIVAWXEXVHBZ-UHFFFAOYSA-N
XLogP1.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine (CID 66378687) is [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine is Cc1ncsc1CNCc1csc(CN)n1.
What is the InChIKey of [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is NCHIVAWXEXVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-7-9(16-6-13-7)4-12-3-8-5-15-10(2-11)14-8/h5-6,12H,2-4,11H2,1H3.
What are the key properties of [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine?
[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66378687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).