N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

C9H15N3OS — CID 130552797

IUPACN-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C9H15N3OS/c1-10-9-11-8(7-14-9)6-12-2-4-13-5-3-12/h7H,2-6H2,1H3,(H,10,11)
InChIKeyJPGGGEVDWIDUMD-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 130552797) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID130552797
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C9H15N3OS/c1-10-9-11-8(7-14-9)6-12-2-4-13-5-3-12/h7H,2-6H2,1H3,(H,10,11)
InChIKeyJPGGGEVDWIDUMD-UHFFFAOYSA-N
XLogP1.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (CID 130552797) is N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is CNc1nc(CN2CCOCC2)cs1.
What is the InChIKey of N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is JPGGGEVDWIDUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-10-9-11-8(7-14-9)6-12-2-4-13-5-3-12/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 213.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130552797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).