N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide

C13H17N5OS — CID 100690813

IUPACN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H](c2ccsc2)N2CCC2)nn1
InChIInChI=1S/C13H17N5OS/c1-17-8-11(15-16-17)13(19)14-7-12(18-4-2-5-18)10-3-6-20-9-10/h3,6,8-9,12H,2,4-5,7H2,1H3,(H,14,19)/t12-/m0/s1
InChIKeyGGFAYPYFYUKIAP-LBPRGKRZSA-N
MW291.38 g/mol
LogP1.05
Rot. Bonds5

About N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide

N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide (PubChem CID 100690813) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide
PubChem CID100690813
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H](c2ccsc2)N2CCC2)nn1
InChIInChI=1S/C13H17N5OS/c1-17-8-11(15-16-17)13(19)14-7-12(18-4-2-5-18)10-3-6-20-9-10/h3,6,8-9,12H,2,4-5,7H2,1H3,(H,14,19)/t12-/m0/s1
InChIKeyGGFAYPYFYUKIAP-LBPRGKRZSA-N
XLogP1.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide (CID 100690813) is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NC[C@@H](c2ccsc2)N2CCC2)nn1.
What is the InChIKey of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is GGFAYPYFYUKIAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-17-8-11(15-16-17)13(19)14-7-12(18-4-2-5-18)10-3-6-20-9-10/h3,6,8-9,12H,2,4-5,7H2,1H3,(H,14,19)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide?
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 100690813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).