N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine

C14H22N6OS — CID 74248534

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCCn1cnnc1CN(C)Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C14H22N6OS/c1-3-19-11-16-17-13(19)10-18(2)9-12-8-15-14(22-12)20-4-6-21-7-5-20/h8,11H,3-7,9-10H2,1-2H3
InChIKeyCBNLCUXIGDZAHP-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.22
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 74248534) has the molecular formula C14H22N6OS and a molecular weight of 322.44 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine
PubChem CID74248534
Molecular FormulaC14H22N6OS
Molecular Weight322.44 g/mol
Exact Mass322.16
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCCn1cnnc1CN(C)Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C14H22N6OS/c1-3-19-11-16-17-13(19)10-18(2)9-12-8-15-14(22-12)20-4-6-21-7-5-20/h8,11H,3-7,9-10H2,1-2H3
InChIKeyCBNLCUXIGDZAHP-UHFFFAOYSA-N
XLogP1.22
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine (CID 74248534) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine is CCn1cnnc1CN(C)Cc1cnc(N2CCOCC2)s1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is CBNLCUXIGDZAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6OS/c1-3-19-11-16-17-13(19)10-18(2)9-12-8-15-14(22-12)20-4-6-21-7-5-20/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 322.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 74248534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).