(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine

C12H16N2OS — CID 81400388

IUPAC(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1nc(CN[C@H](C)c2ccco2)sc1C
InChIInChI=1S/C12H16N2OS/c1-8-10(3)16-12(14-8)7-13-9(2)11-5-4-6-15-11/h4-6,9,13H,7H2,1-3H3/t9-/m1/s1
InChIKeyVZROGDKKJLLBJW-SECBINFHSA-N
MW236.34 g/mol
LogP3.20
Rot. Bonds4

About (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine

(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81400388) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81400388
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1nc(CN[C@H](C)c2ccco2)sc1C
InChIInChI=1S/C12H16N2OS/c1-8-10(3)16-12(14-8)7-13-9(2)11-5-4-6-15-11/h4-6,9,13H,7H2,1-3H3/t9-/m1/s1
InChIKeyVZROGDKKJLLBJW-SECBINFHSA-N
XLogP3.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
(1S)-1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81378017
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370937
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43645072
4-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 83188013
(1S)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914769
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine (CID 81400388) is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine is Cc1nc(CN[C@H](C)c2ccco2)sc1C.
What is the InChIKey of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is VZROGDKKJLLBJW-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-10(3)16-12(14-8)7-13-9(2)11-5-4-6-15-11/h4-6,9,13H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine?
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81400388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).