N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H16N2OS — CID 104790778

IUPACN-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(-c2ccoc2C)sc1CNC1CC1
InChIInChI=1S/C13H16N2OS/c1-8-12(7-14-10-3-4-10)17-13(15-8)11-5-6-16-9(11)2/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyCUHWQRTUZLJNSR-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.27
Rot. Bonds4

About N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 104790778) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID104790778
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(-c2ccoc2C)sc1CNC1CC1
InChIInChI=1S/C13H16N2OS/c1-8-12(7-14-10-3-4-10)17-13(15-8)11-5-6-16-9(11)2/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyCUHWQRTUZLJNSR-UHFFFAOYSA-N
XLogP3.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63554033
3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
CID 114016134
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 63990433
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427019
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107920955
N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 104790829
N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 104790787

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 104790778) is N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1nc(-c2ccoc2C)sc1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is CUHWQRTUZLJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-12(7-14-10-3-4-10)17-13(15-8)11-5-6-16-9(11)2/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 248.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104790778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).