ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine

C12H23N3OS — CID 143962241

IUPACethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCC.Cc1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C10H17N3OS.C2H6/c1-9-8-12-10(15-9)11-2-3-13-4-6-14-7-5-13;1-2/h8H,2-7H2,1H3,(H,11,12);1-2H3
InChIKeyRIWLSRSFQXLSOK-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.22
Rot. Bonds4

About ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine

ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine (PubChem CID 143962241) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
PubChem CID143962241
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Nameethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCC.Cc1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C10H17N3OS.C2H6/c1-9-8-12-10(15-9)11-2-3-13-4-6-14-7-5-13;1-2/h8H,2-7H2,1H3,(H,11,12);1-2H3
InChIKeyRIWLSRSFQXLSOK-UHFFFAOYSA-N
XLogP2.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine (CID 143962241) is ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine is CC.Cc1cnc(NCCN2CCOCC2)s1.
What is the InChIKey of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is RIWLSRSFQXLSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.C2H6/c1-9-8-12-10(15-9)11-2-3-13-4-6-14-7-5-13;1-2/h8H,2-7H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143962241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).