N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide

C15H19N3O2S2 — CID 91786517

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C15H19N3O2S2/c1-8(2)12-14(22-18-17-12)15(20)16-13(9-6-10(19)7-9)11-4-3-5-21-11/h3-5,8-10,13,19H,6-7H2,1-2H3,(H,16,20)
InChIKeyQYVRQJPOKWSSME-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.96
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 91786517) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID91786517
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C15H19N3O2S2/c1-8(2)12-14(22-18-17-12)15(20)16-13(9-6-10(19)7-9)11-4-3-5-21-11/h3-5,8-10,13,19H,6-7H2,1-2H3,(H,16,20)
InChIKeyQYVRQJPOKWSSME-UHFFFAOYSA-N
XLogP2.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 91786517) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is QYVRQJPOKWSSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-8(2)12-14(22-18-17-12)15(20)16-13(9-6-10(19)7-9)11-4-3-5-21-11/h3-5,8-10,13,19H,6-7H2,1-2H3,(H,16,20).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 91786517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).