N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C13H19N5S2 — CID 82424843

IUPACN-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(CN3CCN(C)CC3)s2)cs1
InChIInChI=1S/C13H19N5S2/c1-14-13-16-10(9-19-13)11-7-15-12(20-11)8-18-5-3-17(2)4-6-18/h7,9H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyGFEMBTZTRQTHPP-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82424843) has the molecular formula C13H19N5S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82424843
Molecular FormulaC13H19N5S2
Molecular Weight309.46 g/mol
Exact Mass309.11
IUPAC NameN-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(CN3CCN(C)CC3)s2)cs1
InChIInChI=1S/C13H19N5S2/c1-14-13-16-10(9-19-13)11-7-15-12(20-11)8-18-5-3-17(2)4-6-18/h7,9H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyGFEMBTZTRQTHPP-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82424843) is N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CNc1nc(-c2cnc(CN3CCN(C)CC3)s2)cs1.
What is the InChIKey of N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is GFEMBTZTRQTHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2/c1-14-13-16-10(9-19-13)11-7-15-12(20-11)8-18-5-3-17(2)4-6-18/h7,9H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 309.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82424843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).