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

C14H20N4S2 — CID 82515501

IUPACN-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2csc(CN3CCC(C)CC3)n2)cs1
InChIInChI=1S/C14H20N4S2/c1-10-3-5-18(6-4-10)7-13-16-11(8-19-13)12-9-20-14(15-2)17-12/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyZANUEPKMIMGOBO-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.54
Rot. Bonds4

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

N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 82515501) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID82515501
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC NameN-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2csc(CN3CCC(C)CC3)n2)cs1
InChIInChI=1S/C14H20N4S2/c1-10-3-5-18(6-4-10)7-13-16-11(8-19-13)12-9-20-14(15-2)17-12/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyZANUEPKMIMGOBO-UHFFFAOYSA-N
XLogP3.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82515522
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424843
N-methyl-1-[4-[(4-methylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 63626664
N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82424784
N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42851064
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine
CID 119923466
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 130552477
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
4-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 62961909
[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427518

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 82515501) is N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is CNc1nc(-c2csc(CN3CCC(C)CC3)n2)cs1.
What is the InChIKey of N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ZANUEPKMIMGOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-10-3-5-18(6-4-10)7-13-16-11(8-19-13)12-9-20-14(15-2)17-12/h8-10H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 308.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82515501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).