N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide

C15H23N3OS2 — CID 71867916

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCSC(C)C2C)C2CC2)s1
InChIInChI=1S/C15H23N3OS2/c1-9-8-16-14(21-9)13(12-4-5-12)17-15(19)18-6-7-20-11(3)10(18)2/h8,10-13H,4-7H2,1-3H3,(H,17,19)
InChIKeyUSHKWEYNGZWNNG-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.44
Rot. Bonds3

About N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide (PubChem CID 71867916) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide
PubChem CID71867916
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCSC(C)C2C)C2CC2)s1
InChIInChI=1S/C15H23N3OS2/c1-9-8-16-14(21-9)13(12-4-5-12)17-15(19)18-6-7-20-11(3)10(18)2/h8,10-13H,4-7H2,1-3H3,(H,17,19)
InChIKeyUSHKWEYNGZWNNG-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide (CID 71867916) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide is Cc1cnc(C(NC(=O)N2CCSC(C)C2C)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide?
The InChIKey is USHKWEYNGZWNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-9-8-16-14(21-9)13(12-4-5-12)17-15(19)18-6-7-20-11(3)10(18)2/h8,10-13H,4-7H2,1-3H3,(H,17,19).
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71867916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).