N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine

C13H23N3OS — CID 55261914

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1ncsc1CN(C)C(CN)C1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-10-13(18-9-15-10)8-16(2)12(7-14)11-3-5-17-6-4-11/h9,11-12H,3-8,14H2,1-2H3
InChIKeyTUHJVQVONBTMOX-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.64
Rot. Bonds5

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 55261914) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID55261914
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1ncsc1CN(C)C(CN)C1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-10-13(18-9-15-10)8-16(2)12(7-14)11-3-5-17-6-4-11/h9,11-12H,3-8,14H2,1-2H3
InChIKeyTUHJVQVONBTMOX-UHFFFAOYSA-N
XLogP1.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine (CID 55261914) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine is Cc1ncsc1CN(C)C(CN)C1CCOCC1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is TUHJVQVONBTMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10-13(18-9-15-10)8-16(2)12(7-14)11-3-5-17-6-4-11/h9,11-12H,3-8,14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 269.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 55261914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).