N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C13H23N3S — CID 113362782

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCC2(C)CCN(C)CC2)cs1
InChIInChI=1S/C13H23N3S/c1-11-15-12(9-17-11)8-14-10-13(2)4-6-16(3)7-5-13/h9,14H,4-8,10H2,1-3H3
InChIKeyOGZWMIFAFBGBQU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.27
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 113362782) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID113362782
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCC2(C)CCN(C)CC2)cs1
InChIInChI=1S/C13H23N3S/c1-11-15-12(9-17-11)8-14-10-13(2)4-6-16(3)7-5-13/h9,14H,4-8,10H2,1-3H3
InChIKeyOGZWMIFAFBGBQU-UHFFFAOYSA-N
XLogP2.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60701292
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113364654
1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 107163256
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 115680460
1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 107163192
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103992085
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 107163357
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 113362782) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCC2(C)CCN(C)CC2)cs1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is OGZWMIFAFBGBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-15-12(9-17-11)8-14-10-13(2)4-6-16(3)7-5-13/h9,14H,4-8,10H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 113362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).