N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide

C11H17N3OS — CID 115633613

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCc1csc(CNCCNC(=O)C2CC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-10(14-8)6-12-4-5-13-11(15)9-2-3-9/h7,9,12H,2-6H2,1H3,(H,13,15)
InChIKeyVATUNODUJURRJF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.07
Rot. Bonds6

About N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115633613) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115633613
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCc1csc(CNCCNC(=O)C2CC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-10(14-8)6-12-4-5-13-11(15)9-2-3-9/h7,9,12H,2-6H2,1H3,(H,13,15)
InChIKeyVATUNODUJURRJF-UHFFFAOYSA-N
XLogP1.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115611200
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72844101
N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115641192
2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 116679709
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032039

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide (CID 115633613) is N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide is Cc1csc(CNCCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is VATUNODUJURRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-16-10(14-8)6-12-4-5-13-11(15)9-2-3-9/h7,9,12H,2-6H2,1H3,(H,13,15).
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115633613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).