N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide

C9H13N3OS2 — CID 145277547

IUPACN-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide
SMILESO=CNCc1cnc(N2CCSCC2)s1
InChIInChI=1S/C9H13N3OS2/c13-7-10-5-8-6-11-9(15-8)12-1-3-14-4-2-12/h6-7H,1-5H2,(H,10,13)
InChIKeyCCHZAYLAACXEKV-UHFFFAOYSA-N
MW243.36 g/mol
LogP0.94
Rot. Bonds4

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

N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide (PubChem CID 145277547) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide
PubChem CID145277547
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC NameN-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide
SMILESO=CNCc1cnc(N2CCSCC2)s1
InChIInChI=1S/C9H13N3OS2/c13-7-10-5-8-6-11-9(15-8)12-1-3-14-4-2-12/h6-7H,1-5H2,(H,10,13)
InChIKeyCCHZAYLAACXEKV-UHFFFAOYSA-N
XLogP0.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide?
The IUPAC name of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide (CID 145277547) is N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide.
What is the SMILES notation for N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide?
The canonical SMILES for N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide is O=CNCc1cnc(N2CCSCC2)s1.
What is the InChIKey of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide?
The InChIKey is CCHZAYLAACXEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c13-7-10-5-8-6-11-9(15-8)12-1-3-14-4-2-12/h6-7H,1-5H2,(H,10,13).
What are the key properties of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide?
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide has a molecular weight of 243.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide is sourced from PubChem (CID 145277547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).