N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C16H22N2OS — CID 119123877

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccc(C2CC2C)o1)c1nc(C)cs1
InChIInChI=1S/C16H22N2OS/c1-4-14(16-18-11(3)9-20-16)17-8-12-5-6-15(19-12)13-7-10(13)2/h5-6,9-10,13-14,17H,4,7-8H2,1-3H3
InChIKeyNETSUVNSGMUGKX-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.41
Rot. Bonds6

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 119123877) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID119123877
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccc(C2CC2C)o1)c1nc(C)cs1
InChIInChI=1S/C16H22N2OS/c1-4-14(16-18-11(3)9-20-16)17-8-12-5-6-15(19-12)13-7-10(13)2/h5-6,9-10,13-14,17H,4,7-8H2,1-3H3
InChIKeyNETSUVNSGMUGKX-UHFFFAOYSA-N
XLogP4.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 119123877) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1ccc(C2CC2C)o1)c1nc(C)cs1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is NETSUVNSGMUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-14(16-18-11(3)9-20-16)17-8-12-5-6-15(19-12)13-7-10(13)2/h5-6,9-10,13-14,17H,4,7-8H2,1-3H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 290.43 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 N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 119123877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).