(1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine

C17H22N2OS — CID 97217952

IUPAC(1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc([C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)s1
InChIInChI=1S/C17H22N2OS/c1-10-7-14(10)15-6-5-13(20-15)9-18-16(12-3-4-12)17-19-8-11(2)21-17/h5-6,8,10,12,14,16,18H,3-4,7,9H2,1-2H3/t10-,14-,16+/m0/s1
InChIKeyRXAYWWLQLSTREV-JMPLFQLZSA-N
MW302.44 g/mol
LogP4.41
Rot. Bonds6

About (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine

(1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 97217952) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID97217952
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc([C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)s1
InChIInChI=1S/C17H22N2OS/c1-10-7-14(10)15-6-5-13(20-15)9-18-16(12-3-4-12)17-19-8-11(2)21-17/h5-6,8,10,12,14,16,18H,3-4,7,9H2,1-2H3/t10-,14-,16+/m0/s1
InChIKeyRXAYWWLQLSTREV-JMPLFQLZSA-N
XLogP4.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 97217952) is (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine is Cc1cnc([C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)s1.
What is the InChIKey of (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is RXAYWWLQLSTREV-JMPLFQLZSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-10-7-14(10)15-6-5-13(20-15)9-18-16(12-3-4-12)17-19-8-11(2)21-17/h5-6,8,10,12,14,16,18H,3-4,7,9H2,1-2H3/t10-,14-,16+/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
(1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 302.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 97217952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).