1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

C12H14N2OS — CID 115593190

IUPAC1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESc1coc(-c2nc(CNCC3CC3)cs2)c1
InChIInChI=1S/C12H14N2OS/c1-2-11(15-5-1)12-14-10(8-16-12)7-13-6-9-3-4-9/h1-2,5,8-9,13H,3-4,6-7H2
InChIKeyKCKKFSKEUFLVFD-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.90
Rot. Bonds5

About 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 115593190) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID115593190
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESc1coc(-c2nc(CNCC3CC3)cs2)c1
InChIInChI=1S/C12H14N2OS/c1-2-11(15-5-1)12-14-10(8-16-12)7-13-6-9-3-4-9/h1-2,5,8-9,13H,3-4,6-7H2
InChIKeyKCKKFSKEUFLVFD-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 86893271
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 119813696
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 119813695
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
cis-methyl (1R,2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]cycloheptane-1-carboxylate
CID 97307342
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780984
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
CID 111449190
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (CID 115593190) is 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is c1coc(-c2nc(CNCC3CC3)cs2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is KCKKFSKEUFLVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-11(15-5-1)12-14-10(8-16-12)7-13-6-9-3-4-9/h1-2,5,8-9,13H,3-4,6-7H2.
What are the key properties of 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 115593190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).