1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide

C10H16N4S — CID 112640779

IUPAC1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(Cc2cncs2)C1
InChIInChI=1S/C10H16N4S/c11-10(12)8-2-1-3-14(5-8)6-9-4-13-7-15-9/h4,7-8H,1-3,5-6H2,(H3,11,12)
InChIKeyAPXAKUYPYHJIKE-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.29
Rot. Bonds3

About 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide

1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide (PubChem CID 112640779) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide
PubChem CID112640779
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(Cc2cncs2)C1
InChIInChI=1S/C10H16N4S/c11-10(12)8-2-1-3-14(5-8)6-9-4-13-7-15-9/h4,7-8H,1-3,5-6H2,(H3,11,12)
InChIKeyAPXAKUYPYHJIKE-UHFFFAOYSA-N
XLogP1.29
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644358
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
2-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanethioamide
CID 112640582
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
CID 103134708
1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 112641611
N'-hydroxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-2-carboximidamide
CID 103953989
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898330
1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
CID 79230902
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide (CID 112640779) is 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(Cc2cncs2)C1.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide?
The InChIKey is APXAKUYPYHJIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-10(12)8-2-1-3-14(5-8)6-9-4-13-7-15-9/h4,7-8H,1-3,5-6H2,(H3,11,12).
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide?
1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide has a molecular weight of 224.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide is sourced from PubChem (CID 112640779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).