N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine

C8H10N4S2 — CID 25001115

IUPACN-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CNc2nccs2)s1
InChIInChI=1S/C8H10N4S2/c1-9-7-11-4-6(14-7)5-12-8-10-2-3-13-8/h2-4H,5H2,1H3,(H,9,11)(H,10,12)
InChIKeyXODFXNFVEFVENG-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.25
Rot. Bonds4

About N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine

N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 25001115) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID25001115
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC NameN-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CNc2nccs2)s1
InChIInChI=1S/C8H10N4S2/c1-9-7-11-4-6(14-7)5-12-8-10-2-3-13-8/h2-4H,5H2,1H3,(H,9,11)(H,10,12)
InChIKeyXODFXNFVEFVENG-UHFFFAOYSA-N
XLogP2.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 25001115) is N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine is CNc1ncc(CNc2nccs2)s1.
What is the InChIKey of N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XODFXNFVEFVENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-9-7-11-4-6(14-7)5-12-8-10-2-3-13-8/h2-4H,5H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 226.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25001115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).