N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide

C12H19N3S — CID 63177176

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
SMILES[H]/N=C(\C1CCCC1)N(C)Cc1csc(C)n1
InChIInChI=1S/C12H19N3S/c1-9-14-11(8-16-9)7-15(2)12(13)10-5-3-4-6-10/h8,10,13H,3-7H2,1-2H3/b13-12+
InChIKeyXCDXIAIHCKHPGL-OUKQBFOZSA-N
MW237.37 g/mol
LogP3.05
Rot. Bonds3

About N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide (PubChem CID 63177176) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
PubChem CID63177176
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
SMILES[H]/N=C(\C1CCCC1)N(C)Cc1csc(C)n1
InChIInChI=1S/C12H19N3S/c1-9-14-11(8-16-9)7-15(2)12(13)10-5-3-4-6-10/h8,10,13H,3-7H2,1-2H3/b13-12+
InChIKeyXCDXIAIHCKHPGL-OUKQBFOZSA-N
XLogP3.05
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide
CID 63176490
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
CID 63177175
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 109420881
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide
CID 75476220
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86853844
1,2-dimethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109425118
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide (CID 63177176) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide is [H]/N=C(\C1CCCC1)N(C)Cc1csc(C)n1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide?
The InChIKey is XCDXIAIHCKHPGL-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-14-11(8-16-9)7-15(2)12(13)10-5-3-4-6-10/h8,10,13H,3-7H2,1-2H3/b13-12+.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide has a molecular weight of 237.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide is sourced from PubChem (CID 63177176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).