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

C10H17N3S — CID 2546218

IUPAC4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-13(5-3-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyWIYHPSFMAFAWFG-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.96
Rot. Bonds2

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

4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 2546218) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID2546218
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-13(5-3-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyWIYHPSFMAFAWFG-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-Methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 3871137
4-(Piperidin-1-ylmethyl)-1,3-thiazol-2-amine
CID 767904
4-[(Pyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 2079395
4-[(Dimethylamino)methyl]-1,3-thiazol-2-amine
CID 351685
4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
4-[(3,5-Dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 16227645
4-(((3R,5S)-3,5-dimethylpiperidin-1-yl)methyl)-1,3-thiazol-2-amine
CID 25323517
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
4-(1-Propylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 13823148
4-[(Diethylamino)methyl]-1,3-thiazol-2-amine
CID 16227678
4-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 54936377
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 61604280

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 2546218) is 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is CC1CCN(Cc2csc(N)n2)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WIYHPSFMAFAWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-2-4-13(5-3-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12).
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2546218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).