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

C13H23N3S — CID 55114053

IUPACN-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC1CCCN(c2ncc(CNC(C)C)s2)C1
InChIInChI=1S/C13H23N3S/c1-10(2)14-7-12-8-15-13(17-12)16-6-4-5-11(3)9-16/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyZRDGFCQVCJOHBJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds4

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

N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 55114053) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID55114053
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC1CCCN(c2ncc(CNC(C)C)s2)C1
InChIInChI=1S/C13H23N3S/c1-10(2)14-7-12-8-15-13(17-12)16-6-4-5-11(3)9-16/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyZRDGFCQVCJOHBJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751801
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425285
N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62752264
N-[[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751389
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62888907
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654
4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62750906
N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967415
2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82425308
N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63512881

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 55114053) is N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC1CCCN(c2ncc(CNC(C)C)s2)C1.
What is the InChIKey of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is ZRDGFCQVCJOHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)14-7-12-8-15-13(17-12)16-6-4-5-11(3)9-16/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55114053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).