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

C12H17N5S2 — CID 82425351

IUPACN-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(N3CCN(C)CC3)s2)cs1
InChIInChI=1S/C12H17N5S2/c1-13-11-15-9(8-18-11)10-7-14-12(19-10)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyDIMIKGYIQSIIOM-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.06
Rot. Bonds3

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

N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82425351) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82425351
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC NameN-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(N3CCN(C)CC3)s2)cs1
InChIInChI=1S/C12H17N5S2/c1-13-11-15-9(8-18-11)10-7-14-12(19-10)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyDIMIKGYIQSIIOM-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82425303
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424843
N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424491
4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82424450
4-ethyl-3-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82425346
N-methyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422630
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62754344
5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82514892
N-methyl-4-(3-methyltriazol-4-yl)-1,3-thiazol-2-amine
CID 130703189
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
N-[[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751389

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82425351) is N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CNc1nc(-c2cnc(N3CCN(C)CC3)s2)cs1.
What is the InChIKey of N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is DIMIKGYIQSIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-13-11-15-9(8-18-11)10-7-14-12(19-10)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 295.44 g/mol, XLogP of 2.06, 3 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)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82425351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).