[5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

C15H17N7OS — CID 119066707

IUPAC[5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ncc[nH]2)s1)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C15H17N7OS/c23-15(12-2-1-11(24-12)14-16-3-4-17-14)22-7-5-21(6-8-22)9-13-18-10-19-20-13/h1-4,10H,5-9H2,(H,16,17)(H,18,19,20)
InChIKeyRSPXZDPSDISDFR-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.21
Rot. Bonds4

About [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

[5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 119066707) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID119066707
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name[5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ncc[nH]2)s1)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C15H17N7OS/c23-15(12-2-1-11(24-12)14-16-3-4-17-14)22-7-5-21(6-8-22)9-13-18-10-19-20-13/h1-4,10H,5-9H2,(H,16,17)(H,18,19,20)
InChIKeyRSPXZDPSDISDFR-UHFFFAOYSA-N
XLogP1.21
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 86284048
[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 77085773
quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 146093141
(3-ethyl-1H-indol-2-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 119059382
(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 90653710
3-(benzenesulfonyl)-1-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]propan-1-one
CID 90647700
4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3-methylbenzoic acid
CID 146143215
[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 125419699
2-(2,2,3,3-tetrafluoropropoxy)-1-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 90652940
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 31370374
[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 59382003
[5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75501573

Frequently Asked Questions

What is the IUPAC name of [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (CID 119066707) is [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ncc[nH]2)s1)N1CCN(Cc2ncn[nH]2)CC1.
What is the InChIKey of [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RSPXZDPSDISDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c23-15(12-2-1-11(24-12)14-16-3-4-17-14)22-7-5-21(6-8-22)9-13-18-10-19-20-13/h1-4,10H,5-9H2,(H,16,17)(H,18,19,20).
What are the key properties of [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
[5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 343.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-imidazol-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119066707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).