N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C12H16N2OS — CID 115630858

IUPACN-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2ccco2)n1
InChIInChI=1S/C12H16N2OS/c1-9-8-16-11(14-9)12(2,3)13-7-10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3
InChIKeyWSSVHAIDGRRSFR-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.07
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 115630858) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID115630858
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2ccco2)n1
InChIInChI=1S/C12H16N2OS/c1-9-8-16-11(14-9)12(2,3)13-7-10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3
InChIKeyWSSVHAIDGRRSFR-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 115630858) is N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is Cc1csc(C(C)(C)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is WSSVHAIDGRRSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-8-16-11(14-9)12(2,3)13-7-10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 115630858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).