2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid

C15H25N3O2S — CID 106814013

IUPAC2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
SMILESCCCc1nc(CN2CCCC(CNCC(=O)O)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-2-4-14-17-13(11-21-14)10-18-6-3-5-12(9-18)7-16-8-15(19)20/h11-12,16H,2-10H2,1H3,(H,19,20)
InChIKeyQPJQUEQTSWHPTK-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.98
Rot. Bonds8

About 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid

2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814013) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
PubChem CID106814013
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
SMILESCCCc1nc(CN2CCCC(CNCC(=O)O)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-2-4-14-17-13(11-21-14)10-18-6-3-5-12(9-18)7-16-8-15(19)20/h11-12,16H,2-10H2,1H3,(H,19,20)
InChIKeyQPJQUEQTSWHPTK-UHFFFAOYSA-N
XLogP1.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
2-[[1-[(3-bromothiophen-2-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813867
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79545913

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid (CID 106814013) is 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid is CCCc1nc(CN2CCCC(CNCC(=O)O)C2)cs1.
What is the InChIKey of 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
The InChIKey is QPJQUEQTSWHPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-4-14-17-13(11-21-14)10-18-6-3-5-12(9-18)7-16-8-15(19)20/h11-12,16H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid has a molecular weight of 311.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).