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

C13H23N3OS — CID 63838967

IUPACN'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1ncsc1CN(C)CCNC1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-11-13(18-10-15-11)9-16(2)6-5-14-12-3-7-17-8-4-12/h10,12,14H,3-9H2,1-2H3
InChIKeyPBZBKOBOTLPDIX-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.65
Rot. Bonds6

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

N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 63838967) 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]-N-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine
PubChem CID63838967
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1ncsc1CN(C)CCNC1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-11-13(18-10-15-11)9-16(2)6-5-14-12-3-7-17-8-4-12/h10,12,14H,3-9H2,1-2H3
InChIKeyPBZBKOBOTLPDIX-UHFFFAOYSA-N
XLogP1.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.65
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]-N-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine (CID 63838967) is N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine is Cc1ncsc1CN(C)CCNC1CCOCC1.
What is the InChIKey of N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is PBZBKOBOTLPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11-13(18-10-15-11)9-16(2)6-5-14-12-3-7-17-8-4-12/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine?
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 269.41 g/mol, XLogP of 1.65, 6 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]-N-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 63838967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).