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

C13H18N4S2 — CID 82425303

IUPACN-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(N3CCCC(C)C3)s2)cs1
InChIInChI=1S/C13H18N4S2/c1-9-4-3-5-17(7-9)13-15-6-11(19-13)10-8-18-12(14-2)16-10/h6,8-9H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyKOWXPEQARBLDPF-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.54
Rot. Bonds3

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

N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82425303) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82425303
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC NameN-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(N3CCCC(C)C3)s2)cs1
InChIInChI=1S/C13H18N4S2/c1-9-4-3-5-17(7-9)13-15-6-11(19-13)10-8-18-12(14-2)16-10/h6,8-9H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyKOWXPEQARBLDPF-UHFFFAOYSA-N
XLogP3.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82425351
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82425308
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425285
5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
CID 126995565
4-(3-methylpiperidin-1-yl)-1,3-thiazol-2-amine
CID 66520291
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 43532074
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 60528753
N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95051461
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82425303) is N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CNc1nc(-c2cnc(N3CCCC(C)C3)s2)cs1.
What is the InChIKey of N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is KOWXPEQARBLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-9-4-3-5-17(7-9)13-15-6-11(19-13)10-8-18-12(14-2)16-10/h6,8-9H,3-5,7H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 294.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82425303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).