N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C13H19N3OS — CID 55112489

IUPACN-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(C)Cc2ccco2)s1
InChIInChI=1S/C13H19N3OS/c1-10(2)14-7-12-8-15-13(18-12)16(3)9-11-5-4-6-17-11/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyYGXPJAMOXHEGBW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.87
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 55112489) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID55112489
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(C)Cc2ccco2)s1
InChIInChI=1S/C13H19N3OS/c1-10(2)14-7-12-8-15-13(18-12)16(3)9-11-5-4-6-17-11/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyYGXPJAMOXHEGBW-UHFFFAOYSA-N
XLogP2.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 55112489) is N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CC(C)NCc1cnc(N(C)Cc2ccco2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is YGXPJAMOXHEGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10(2)14-7-12-8-15-13(18-12)16(3)9-11-5-4-6-17-11/h4-6,8,10,14H,7,9H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55112489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).