N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide

C14H19N5O2S — CID 124727618

IUPACN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)nn1
InChIInChI=1S/C14H19N5O2S/c1-18-10-11(16-17-18)14(20)15-9-12(13-3-2-6-21-13)19-4-7-22-8-5-19/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyPOKYTCCHLHBRQV-LBPRGKRZSA-N
MW321.41 g/mol
LogP0.93
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide (PubChem CID 124727618) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
PubChem CID124727618
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)nn1
InChIInChI=1S/C14H19N5O2S/c1-18-10-11(16-17-18)14(20)15-9-12(13-3-2-6-21-13)19-4-7-22-8-5-19/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyPOKYTCCHLHBRQV-LBPRGKRZSA-N
XLogP0.93
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 124878574
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 124873929
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 63049608
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 126854868
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124877821
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639
N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 26834379

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide (CID 124727618) is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)nn1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is POKYTCCHLHBRQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18-10-11(16-17-18)14(20)15-9-12(13-3-2-6-21-13)19-4-7-22-8-5-19/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,15,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 124727618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).