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

C10H17N3OS — CID 63283712

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1ncsc1CNCC1CNCCO1
InChIInChI=1S/C10H17N3OS/c1-8-10(15-7-13-8)6-12-5-9-4-11-2-3-14-9/h7,9,11-12H,2-6H2,1H3
InChIKeyKHKXOKQPEWJJKT-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.53
Rot. Bonds4

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine (PubChem CID 63283712) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine
PubChem CID63283712
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1ncsc1CNCC1CNCCO1
InChIInChI=1S/C10H17N3OS/c1-8-10(15-7-13-8)6-12-5-9-4-11-2-3-14-9/h7,9,11-12H,2-6H2,1H3
InChIKeyKHKXOKQPEWJJKT-UHFFFAOYSA-N
XLogP0.53
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine (CID 63283712) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine is Cc1ncsc1CNCC1CNCCO1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
The InChIKey is KHKXOKQPEWJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-10(15-7-13-8)6-12-5-9-4-11-2-3-14-9/h7,9,11-12H,2-6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine has a molecular weight of 227.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 63283712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).