1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide

C13H22N4S — CID 107162068

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2nc(C)c(C)s2)CC1
InChIInChI=1S/C13H22N4S/c1-9-10(2)18-11(16-9)8-17-6-4-13(3,5-7-17)12(14)15/h4-8H2,1-3H3,(H3,14,15)
InChIKeyNVRVKCYIUSEOFF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.30
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide (PubChem CID 107162068) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
PubChem CID107162068
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2nc(C)c(C)s2)CC1
InChIInChI=1S/C13H22N4S/c1-9-10(2)18-11(16-9)8-17-6-4-13(3,5-7-17)12(14)15/h4-8H2,1-3H3,(H3,14,15)
InChIKeyNVRVKCYIUSEOFF-UHFFFAOYSA-N
XLogP2.30
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.30
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-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
CID 115873781
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 107162129
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboximidamide
CID 82427514
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162109
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162069
1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963
4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide (CID 107162068) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2nc(C)c(C)s2)CC1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide?
The InChIKey is NVRVKCYIUSEOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9-10(2)18-11(16-9)8-17-6-4-13(3,5-7-17)12(14)15/h4-8H2,1-3H3,(H3,14,15).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide has a molecular weight of 266.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).